4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]benzonitrile

C22H17N3 — CID 134083964

IUPAC4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]benzonitrile
SMILESCc1ccc(Cn2c(-c3ccc(C#N)cc3)nc3ccccc32)cc1
InChIInChI=1S/C22H17N3/c1-16-6-8-18(9-7-16)15-25-21-5-3-2-4-20(21)24-22(25)19-12-10-17(14-23)11-13-19/h2-13H,15H2,1H3
InChIKeyGMUJUNNCUPYFMH-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.93
Rot. Bonds3

About 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]benzonitrile

4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]benzonitrile (PubChem CID 134083964) has the molecular formula C22H17N3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]benzonitrile
PubChem CID134083964
Molecular FormulaC22H17N3
Molecular Weight323.40 g/mol
Exact Mass323.14
IUPAC Name4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]benzonitrile
SMILESCc1ccc(Cn2c(-c3ccc(C#N)cc3)nc3ccccc32)cc1
InChIInChI=1S/C22H17N3/c1-16-6-8-18(9-7-16)15-25-21-5-3-2-4-20(21)24-22(25)19-12-10-17(14-23)11-13-19/h2-13H,15H2,1H3
InChIKeyGMUJUNNCUPYFMH-UHFFFAOYSA-N
XLogP4.93
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-pyridin-4-ylbenzimidazol-1-yl)methyl]benzonitrile
CID 39151464
2-(3,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 20930584
[4-(1-benzylbenzimidazol-2-yl)phenyl]methanol
CID 90040837
4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile
CID 39148178
CID 10763839
CID 10763839
1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole
CID 12620886
1-benzyl-2-(4-fluorophenyl)benzimidazole
CID 19243195
4-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile
CID 82359745
4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline
CID 92629103
2-(4-methylphenyl)-1-(naphthalen-1-ylmethyl)benzimidazole
CID 18878804
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
2-(1-chloroethyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 43666398

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]benzonitrile?
The IUPAC name of 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]benzonitrile (CID 134083964) is 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]benzonitrile.
What is the SMILES notation for 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]benzonitrile?
The canonical SMILES for 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]benzonitrile is Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nc3ccccc32)cc1.
What is the InChIKey of 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]benzonitrile?
The InChIKey is GMUJUNNCUPYFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3/c1-16-6-8-18(9-7-16)15-25-21-5-3-2-4-20(21)24-22(25)19-12-10-17(14-23)11-13-19/h2-13H,15H2,1H3.
What are the key properties of 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]benzonitrile?
4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]benzonitrile has a molecular weight of 323.40 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]benzonitrile is sourced from PubChem (CID 134083964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).