7-(3-methoxyphenyl)-1-phenylbenzimidazole-5-carbonitrile

C21H15N3O — CID 11198141

IUPAC7-(3-methoxyphenyl)-1-phenylbenzimidazole-5-carbonitrile
SMILESCOc1cccc(-c2cc(C#N)cc3ncn(-c4ccccc4)c23)c1
InChIInChI=1S/C21H15N3O/c1-25-18-9-5-6-16(12-18)19-10-15(13-22)11-20-21(19)24(14-23-20)17-7-3-2-4-8-17/h2-12,14H,1H3
InChIKeyZJBOXURAIBOIAS-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.57
Rot. Bonds3

About 7-(3-methoxyphenyl)-1-phenylbenzimidazole-5-carbonitrile

7-(3-methoxyphenyl)-1-phenylbenzimidazole-5-carbonitrile (PubChem CID 11198141) has the molecular formula C21H15N3O and a molecular weight of 325.37 g/mol. Its IUPAC name is 7-(3-methoxyphenyl)-1-phenylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name7-(3-methoxyphenyl)-1-phenylbenzimidazole-5-carbonitrile
PubChem CID11198141
Molecular FormulaC21H15N3O
Molecular Weight325.37 g/mol
Exact Mass325.12
IUPAC Name7-(3-methoxyphenyl)-1-phenylbenzimidazole-5-carbonitrile
SMILESCOc1cccc(-c2cc(C#N)cc3ncn(-c4ccccc4)c23)c1
InChIInChI=1S/C21H15N3O/c1-25-18-9-5-6-16(12-18)19-10-15(13-22)11-20-21(19)24(14-23-20)17-7-3-2-4-8-17/h2-12,14H,1H3
InChIKeyZJBOXURAIBOIAS-UHFFFAOYSA-N
XLogP4.57
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-iodo-1-phenylbenzimidazole-5-carbonitrile
CID 67485627
7-[3-(1-methoxyethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole
CID 11338440
3-(3-methoxyphenyl)benzonitrile
CID 4189594
6-methoxy-1-phenylbenzimidazole
CID 652633
4-(3-methoxyphenyl)-1,3-diphenylpyrazole
CID 166447646
3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]aniline
CID 11462328
5-(3-methoxyphenyl)-1-phenylpyrazole
CID 44632701
1-[3-(2-propan-2-yloxyphenyl)phenyl]benzimidazole-5-carbonitrile
CID 24768638
5-(3-methoxyphenyl)-3-phenyltriazol-4-amine
CID 14612161
2,6-bis(3-methoxyphenyl)-4-phenylpyridine-3,5-dicarbonitrile
CID 176522061
1-[3-(2-acetylphenyl)phenyl]benzimidazole-5-carbonitrile
CID 24768643
4-(2-hydroxyphenyl)-6-(3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 162655433

Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxyphenyl)-1-phenylbenzimidazole-5-carbonitrile?
The IUPAC name of 7-(3-methoxyphenyl)-1-phenylbenzimidazole-5-carbonitrile (CID 11198141) is 7-(3-methoxyphenyl)-1-phenylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 7-(3-methoxyphenyl)-1-phenylbenzimidazole-5-carbonitrile?
The canonical SMILES for 7-(3-methoxyphenyl)-1-phenylbenzimidazole-5-carbonitrile is COc1cccc(-c2cc(C#N)cc3ncn(-c4ccccc4)c23)c1.
What is the InChIKey of 7-(3-methoxyphenyl)-1-phenylbenzimidazole-5-carbonitrile?
The InChIKey is ZJBOXURAIBOIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O/c1-25-18-9-5-6-16(12-18)19-10-15(13-22)11-20-21(19)24(14-23-20)17-7-3-2-4-8-17/h2-12,14H,1H3.
What are the key properties of 7-(3-methoxyphenyl)-1-phenylbenzimidazole-5-carbonitrile?
7-(3-methoxyphenyl)-1-phenylbenzimidazole-5-carbonitrile has a molecular weight of 325.37 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxyphenyl)-1-phenylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 11198141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).