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

C14H9N3 — CID 83412719

IUPAC2-phenyl-1H-benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(-c3ccccc3)nc12
InChIInChI=1S/C14H9N3/c15-9-11-7-4-8-12-13(11)17-14(16-12)10-5-2-1-3-6-10/h1-8H,(H,16,17)
InChIKeyLOCCCZGRGZAMJA-UHFFFAOYSA-N
MW219.25 g/mol
LogP3.10
Rot. Bonds1

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

2-phenyl-1H-benzimidazole-4-carbonitrile (PubChem CID 83412719) has the molecular formula C14H9N3 and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-phenyl-1H-benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-phenyl-1H-benzimidazole-4-carbonitrile
PubChem CID83412719
Molecular FormulaC14H9N3
Molecular Weight219.25 g/mol
Exact Mass219.08
IUPAC Name2-phenyl-1H-benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(-c3ccccc3)nc12
InChIInChI=1S/C14H9N3/c15-9-11-7-4-8-12-13(11)17-14(16-12)10-5-2-1-3-6-10/h1-8H,(H,16,17)
InChIKeyLOCCCZGRGZAMJA-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-1H-benzimidazole-4-carbonitrile?
The IUPAC name of 2-phenyl-1H-benzimidazole-4-carbonitrile (CID 83412719) is 2-phenyl-1H-benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-phenyl-1H-benzimidazole-4-carbonitrile?
The canonical SMILES for 2-phenyl-1H-benzimidazole-4-carbonitrile is N#Cc1cccc2[nH]c(-c3ccccc3)nc12.
What is the InChIKey of 2-phenyl-1H-benzimidazole-4-carbonitrile?
The InChIKey is LOCCCZGRGZAMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3/c15-9-11-7-4-8-12-13(11)17-14(16-12)10-5-2-1-3-6-10/h1-8H,(H,16,17).
What are the key properties of 2-phenyl-1H-benzimidazole-4-carbonitrile?
2-phenyl-1H-benzimidazole-4-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-1H-benzimidazole-4-carbonitrile is sourced from PubChem (CID 83412719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).