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

C16H13N3 — CID 59218676

IUPAC3-methyl-5-(2-methylphenyl)benzimidazole-4-carbonitrile
SMILESCc1ccccc1-c1ccc2ncn(C)c2c1C#N
InChIInChI=1S/C16H13N3/c1-11-5-3-4-6-12(11)13-7-8-15-16(14(13)9-17)19(2)10-18-15/h3-8,10H,1-2H3
InChIKeyQQSFMIHEMYJURD-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.42
Rot. Bonds1

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

3-methyl-5-(2-methylphenyl)benzimidazole-4-carbonitrile (PubChem CID 59218676) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-methyl-5-(2-methylphenyl)benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-5-(2-methylphenyl)benzimidazole-4-carbonitrile
PubChem CID59218676
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name3-methyl-5-(2-methylphenyl)benzimidazole-4-carbonitrile
SMILESCc1ccccc1-c1ccc2ncn(C)c2c1C#N
InChIInChI=1S/C16H13N3/c1-11-5-3-4-6-12(11)13-7-8-15-16(14(13)9-17)19(2)10-18-15/h3-8,10H,1-2H3
InChIKeyQQSFMIHEMYJURD-UHFFFAOYSA-N
XLogP3.42
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylphenyl)benzimidazole-4-carbonitrile?
The IUPAC name of 3-methyl-5-(2-methylphenyl)benzimidazole-4-carbonitrile (CID 59218676) is 3-methyl-5-(2-methylphenyl)benzimidazole-4-carbonitrile.
What is the SMILES notation for 3-methyl-5-(2-methylphenyl)benzimidazole-4-carbonitrile?
The canonical SMILES for 3-methyl-5-(2-methylphenyl)benzimidazole-4-carbonitrile is Cc1ccccc1-c1ccc2ncn(C)c2c1C#N.
What is the InChIKey of 3-methyl-5-(2-methylphenyl)benzimidazole-4-carbonitrile?
The InChIKey is QQSFMIHEMYJURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1-11-5-3-4-6-12(11)13-7-8-15-16(14(13)9-17)19(2)10-18-15/h3-8,10H,1-2H3.
What are the key properties of 3-methyl-5-(2-methylphenyl)benzimidazole-4-carbonitrile?
3-methyl-5-(2-methylphenyl)benzimidazole-4-carbonitrile has a molecular weight of 247.30 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylphenyl)benzimidazole-4-carbonitrile is sourced from PubChem (CID 59218676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).