2-(4-methylphenyl)benzimidazole-1-carbonitrile

C15H11N3 — CID 57069753

IUPAC2-(4-methylphenyl)benzimidazole-1-carbonitrile
SMILESCc1ccc(-c2nc3ccccc3n2C#N)cc1
InChIInChI=1S/C15H11N3/c1-11-6-8-12(9-7-11)15-17-13-4-2-3-5-14(13)18(15)10-16/h2-9H,1H3
InChIKeyOFCDESYUTGJTCM-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.34
Rot. Bonds1

About 2-(4-methylphenyl)benzimidazole-1-carbonitrile

2-(4-methylphenyl)benzimidazole-1-carbonitrile (PubChem CID 57069753) has the molecular formula C15H11N3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(4-methylphenyl)benzimidazole-1-carbonitrile.

Molecular Properties

Compound Name2-(4-methylphenyl)benzimidazole-1-carbonitrile
PubChem CID57069753
Molecular FormulaC15H11N3
Molecular Weight233.27 g/mol
Exact Mass233.10
IUPAC Name2-(4-methylphenyl)benzimidazole-1-carbonitrile
SMILESCc1ccc(-c2nc3ccccc3n2C#N)cc1
InChIInChI=1S/C15H11N3/c1-11-6-8-12(9-7-11)15-17-13-4-2-3-5-14(13)18(15)10-16/h2-9H,1H3
InChIKeyOFCDESYUTGJTCM-UHFFFAOYSA-N
XLogP3.34
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylbenzimidazole-1-carbonitrile
CID 10942715
4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]benzonitrile
CID 134083964
2-[4-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]-1-phenylbenzimidazole
CID 58489476
1-(4-fluorophenyl)-2-(4-methylphenyl)benzimidazole
CID 95930125
2-(4-methylphenyl)-1-(1-phenylethyl)benzimidazole
CID 18878803
CID 10763839
CID 10763839
1-(3-methylbutyl)-2-(4-methylphenyl)benzimidazole
CID 18878798
1-[(4-methylphenyl)methoxy]-2-phenylbenzimidazole
CID 3756820
1-(2-deuteriopropan-2-yl)-2-[4-(trideuteriomethyl)phenyl]benzimidazole
CID 166563825
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
2-(4-iodophenyl)-1-methylbenzimidazole
CID 23094064
2-(4-chlorophenyl)-1-methylbenzimidazole
CID 974595

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)benzimidazole-1-carbonitrile?
The IUPAC name of 2-(4-methylphenyl)benzimidazole-1-carbonitrile (CID 57069753) is 2-(4-methylphenyl)benzimidazole-1-carbonitrile.
What is the SMILES notation for 2-(4-methylphenyl)benzimidazole-1-carbonitrile?
The canonical SMILES for 2-(4-methylphenyl)benzimidazole-1-carbonitrile is Cc1ccc(-c2nc3ccccc3n2C#N)cc1.
What is the InChIKey of 2-(4-methylphenyl)benzimidazole-1-carbonitrile?
The InChIKey is OFCDESYUTGJTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c1-11-6-8-12(9-7-11)15-17-13-4-2-3-5-14(13)18(15)10-16/h2-9H,1H3.
What are the key properties of 2-(4-methylphenyl)benzimidazole-1-carbonitrile?
2-(4-methylphenyl)benzimidazole-1-carbonitrile has a molecular weight of 233.27 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)benzimidazole-1-carbonitrile is sourced from PubChem (CID 57069753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).