2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile

C15H11N3 — CID 10489821

IUPAC2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile
SMILESCc1ccc(-c2nc3ccc(C#N)cc3[nH]2)cc1
InChIInChI=1S/C15H11N3/c1-10-2-5-12(6-3-10)15-17-13-7-4-11(9-16)8-14(13)18-15/h2-8H,1H3,(H,17,18)
InChIKeyZTQJHUADEZUOES-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.41
Rot. Bonds1

About 2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile

2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile (PubChem CID 10489821) has the molecular formula C15H11N3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile
PubChem CID10489821
Molecular FormulaC15H11N3
Molecular Weight233.27 g/mol
Exact Mass233.10
IUPAC Name2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile
SMILESCc1ccc(-c2nc3ccc(C#N)cc3[nH]2)cc1
InChIInChI=1S/C15H11N3/c1-10-2-5-12(6-3-10)15-17-13-7-4-11(9-16)8-14(13)18-15/h2-8H,1H3,(H,17,18)
InChIKeyZTQJHUADEZUOES-UHFFFAOYSA-N
XLogP3.41
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 81488542
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
2-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-3H-benzimidazole-5-carbonitrile
CID 46992207
2-(4-phenoxyphenyl)-3H-benzimidazole-5-carbonitrile
CID 11209127
4-(6-amino-1H-benzimidazol-2-yl)benzonitrile
CID 19921448
4-(6-hydroxy-1H-benzimidazol-2-yl)benzonitrile
CID 81431797
2-[6-(4-cyanophenyl)-2-pyridinyl]-3H-benzimidazole-5-carbonitrile
CID 69437638
2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
CID 59482293
2-(2-methyl-1,3-thiazol-4-yl)-3H-benzimidazole-5-carbonitrile
CID 79004870
4-(6-methylsulfonyl-1H-benzimidazol-2-yl)benzonitrile
CID 62069305
4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile
CID 112730245
methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 159476815

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile (CID 10489821) is 2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile is Cc1ccc(-c2nc3ccc(C#N)cc3[nH]2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile?
The InChIKey is ZTQJHUADEZUOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c1-10-2-5-12(6-3-10)15-17-13-7-4-11(9-16)8-14(13)18-15/h2-8H,1H3,(H,17,18).
What are the key properties of 2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile?
2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile has a molecular weight of 233.27 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 10489821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).