Consensus flow list

4’-(2-propyl-4-methyl-6-(1-methylbenzimidazolyl-2-yl)-benzimidazol-1-ylmethyl)biphenyl-2-carbonitril

fo-fa90e7a3358fc604

Identity

Type
Neutral molecule
CAS
144702-27-2
EC
480-420-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4’-(2-propyl-4-methyl-6-(1-methylbenzimidazolyl-2-yl)-benzimidazol-1-ylmethyl)biphenyl-2-carbonitril

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XIEVZYAEXURSHX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C33H29N5/c1-4-9-31-36-32-22(2)18-26(33-35-28-12-7-8-13-29(28)37(33)3)19-30(32)38(31)21-23-14-16-24(17-15-23)27-11-6-5-10-25(27)20-34/h5-8,10-19H,4,9,21H2,1-3H3
IUPAC name chemrof:IUPAC_name 2-[4-[[4-Methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzonitrile
Molecular formula chemrof:molecular_formula C33H29N5
Molecular mass chemrof:molecular_mass 495.63
Monoisotopic mass chemrof:monoisotopic_mass 495.242296
SMILES string chemrof:smiles_string CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C#N)cc1

Known URLs

8

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=144702-27-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.105.304 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.111.596 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20162790 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/A8M0GXG1XV enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.348.761D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11961510 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27273773 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4e4b83a4-b563-4abc-ade7-7b14468bc1d8 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
8bc5cad2-9398-40ce-a659-81b3677eda74 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
ab257171-08ad-4009-b12a-4d686f66f374 Environmental → Air → Indoor EF 3.1 kg 4
498bed75-f7c0-4d36-819d-046bf96b5f79 Environmental → Air → Long-term EF 3.1 kg 0
336804f3-da8e-4ed9-9efc-57f0a98036c9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
75520487-c9d4-4e73-9635-5a2901f51271 Environmental → Air → Unknown EF 3.1 kg 4
9271c5e1-9630-49da-8baf-cb7e351632ec Environmental → Ground → Agricultural EF 3.1 kg 4
95d65ad2-d75f-4108-b8f2-16b5abdb7189 Environmental → Ground → Non-agricultural EF 3.1 kg 4
4fa57760-9128-4383-8d95-c25ebf84240b Environmental → Ground → Unknown EF 3.1 kg 4
6dab3f54-3fed-4727-9833-e2ff17a4b32a Environmental → Water → Long-term EF 3.1 kg 0
a6a38da9-3811-4371-9960-9d83005f9c74 Environmental → Water → Ocean EF 3.1 kg 4
5927cee5-1858-4a7f-9736-1bc858068bc6 Environmental → Water → Surface water EF 3.1 kg 4
9e1f75a1-9dfd-42a2-baf1-78e60014d26b Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-fa90e7a3358fc604",
  "prefLabel": [
    {
      "@value": "4’-(2-propyl-4-methyl-6-(1-methylbenzimidazolyl-2-yl)-benzimidazol-1-ylmethyl)biphenyl-2-carbonitril",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-[4-[[4-Methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzonitrile",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4′-((1,7′-Dimethyl-2′-propyl-1H,3′H-[2,5′-bibenzo[d]imidazol]-3′-yl)methyl)-[1,1′-biphenyl]-2-carbonitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "4′-[(1,4′-Dimethyl-2′-propyl[2,6′-bi-1H-benzimidazol]-1′-yl)methyl][1,1′-biphenyl]-2-carbonitrile",
      "@language": "en",
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      }
    },
    {
      "@value": "[1,1′-Biphenyl]-2-carbonitrile, 4′-[(1,4′-dimethyl-2′-propyl[2,6′-bi-1H-benzimidazol]-1′-yl)methyl]-",
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