3-methyl-1-phenyl-2H-benzimidazole-4-carbonitrile

C15H13N3 — CID 153430458

IUPAC3-methyl-1-phenyl-2H-benzimidazole-4-carbonitrile
SMILESCN1CN(c2ccccc2)c2cccc(C#N)c21
InChIInChI=1S/C15H13N3/c1-17-11-18(13-7-3-2-4-8-13)14-9-5-6-12(10-16)15(14)17/h2-9H,11H2,1H3
InChIKeyJFGVLFOBJQKSPA-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.10
Rot. Bonds1

About 3-methyl-1-phenyl-2H-benzimidazole-4-carbonitrile

3-methyl-1-phenyl-2H-benzimidazole-4-carbonitrile (PubChem CID 153430458) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-methyl-1-phenyl-2H-benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-phenyl-2H-benzimidazole-4-carbonitrile
PubChem CID153430458
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name3-methyl-1-phenyl-2H-benzimidazole-4-carbonitrile
SMILESCN1CN(c2ccccc2)c2cccc(C#N)c21
InChIInChI=1S/C15H13N3/c1-17-11-18(13-7-3-2-4-8-13)14-9-5-6-12(10-16)15(14)17/h2-9H,11H2,1H3
InChIKeyJFGVLFOBJQKSPA-UHFFFAOYSA-N
XLogP3.10
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-2H-benzimidazole-4-carbonitrile?
The IUPAC name of 3-methyl-1-phenyl-2H-benzimidazole-4-carbonitrile (CID 153430458) is 3-methyl-1-phenyl-2H-benzimidazole-4-carbonitrile.
What is the SMILES notation for 3-methyl-1-phenyl-2H-benzimidazole-4-carbonitrile?
The canonical SMILES for 3-methyl-1-phenyl-2H-benzimidazole-4-carbonitrile is CN1CN(c2ccccc2)c2cccc(C#N)c21.
What is the InChIKey of 3-methyl-1-phenyl-2H-benzimidazole-4-carbonitrile?
The InChIKey is JFGVLFOBJQKSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-17-11-18(13-7-3-2-4-8-13)14-9-5-6-12(10-16)15(14)17/h2-9H,11H2,1H3.
What are the key properties of 3-methyl-1-phenyl-2H-benzimidazole-4-carbonitrile?
3-methyl-1-phenyl-2H-benzimidazole-4-carbonitrile has a molecular weight of 235.29 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-2H-benzimidazole-4-carbonitrile is sourced from PubChem (CID 153430458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).