2-methyl-1-phenyl-2,3-dihydrobenzimidazole-5-carbonitrile

C15H13N3 — CID 70987182

IUPAC2-methyl-1-phenyl-2,3-dihydrobenzimidazole-5-carbonitrile
SMILESCC1Nc2cc(C#N)ccc2N1c1ccccc1
InChIInChI=1S/C15H13N3/c1-11-17-14-9-12(10-16)7-8-15(14)18(11)13-5-3-2-4-6-13/h2-9,11,17H,1H3
InChIKeyHXVJKUFEILILJN-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.47
Rot. Bonds1

About 2-methyl-1-phenyl-2,3-dihydrobenzimidazole-5-carbonitrile

2-methyl-1-phenyl-2,3-dihydrobenzimidazole-5-carbonitrile (PubChem CID 70987182) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-methyl-1-phenyl-2,3-dihydrobenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-methyl-1-phenyl-2,3-dihydrobenzimidazole-5-carbonitrile
PubChem CID70987182
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name2-methyl-1-phenyl-2,3-dihydrobenzimidazole-5-carbonitrile
SMILESCC1Nc2cc(C#N)ccc2N1c1ccccc1
InChIInChI=1S/C15H13N3/c1-11-17-14-9-12(10-16)7-8-15(14)18(11)13-5-3-2-4-6-13/h2-9,11,17H,1H3
InChIKeyHXVJKUFEILILJN-UHFFFAOYSA-N
XLogP3.47
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-2,3-dihydrobenzimidazole-5-carbonitrile?
The IUPAC name of 2-methyl-1-phenyl-2,3-dihydrobenzimidazole-5-carbonitrile (CID 70987182) is 2-methyl-1-phenyl-2,3-dihydrobenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-methyl-1-phenyl-2,3-dihydrobenzimidazole-5-carbonitrile?
The canonical SMILES for 2-methyl-1-phenyl-2,3-dihydrobenzimidazole-5-carbonitrile is CC1Nc2cc(C#N)ccc2N1c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-2,3-dihydrobenzimidazole-5-carbonitrile?
The InChIKey is HXVJKUFEILILJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-11-17-14-9-12(10-16)7-8-15(14)18(11)13-5-3-2-4-6-13/h2-9,11,17H,1H3.
What are the key properties of 2-methyl-1-phenyl-2,3-dihydrobenzimidazole-5-carbonitrile?
2-methyl-1-phenyl-2,3-dihydrobenzimidazole-5-carbonitrile has a molecular weight of 235.29 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-2,3-dihydrobenzimidazole-5-carbonitrile is sourced from PubChem (CID 70987182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).