2-phenyl-3H-benzimidazole-5-carbonitrile

C14H9N3 — CID 14903274

IUPAC2-phenyl-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C14H9N3/c15-9-10-6-7-12-13(8-10)17-14(16-12)11-4-2-1-3-5-11/h1-8H,(H,16,17)
InChIKeyDMNIFQMBWMEOCO-UHFFFAOYSA-N
MW219.25 g/mol
LogP3.10
Rot. Bonds1

About 2-phenyl-3H-benzimidazole-5-carbonitrile

2-phenyl-3H-benzimidazole-5-carbonitrile (PubChem CID 14903274) has the molecular formula C14H9N3 and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-phenyl-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-phenyl-3H-benzimidazole-5-carbonitrile
PubChem CID14903274
Molecular FormulaC14H9N3
Molecular Weight219.25 g/mol
Exact Mass219.08
IUPAC Name2-phenyl-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C14H9N3/c15-9-10-6-7-12-13(8-10)17-14(16-12)11-4-2-1-3-5-11/h1-8H,(H,16,17)
InChIKeyDMNIFQMBWMEOCO-UHFFFAOYSA-N
XLogP3.10
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-phenyl-3H-benzimidazole-5-carbonitrile (CID 14903274) is 2-phenyl-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-phenyl-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-phenyl-3H-benzimidazole-5-carbonitrile is N#Cc1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 2-phenyl-3H-benzimidazole-5-carbonitrile?
The InChIKey is DMNIFQMBWMEOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3/c15-9-10-6-7-12-13(8-10)17-14(16-12)11-4-2-1-3-5-11/h1-8H,(H,16,17).
What are the key properties of 2-phenyl-3H-benzimidazole-5-carbonitrile?
2-phenyl-3H-benzimidazole-5-carbonitrile has a molecular weight of 219.25 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 14903274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).