1-ethyl-2-pyridin-2-ylbenzimidazole-5-carbonitrile

C15H12N4 — CID 65040158

IUPAC1-ethyl-2-pyridin-2-ylbenzimidazole-5-carbonitrile
SMILESCCn1c(-c2ccccn2)nc2cc(C#N)ccc21
InChIInChI=1S/C15H12N4/c1-2-19-14-7-6-11(10-16)9-13(14)18-15(19)12-5-3-4-8-17-12/h3-9H,2H2,1H3
InChIKeyWCPGBRWMIKQMPS-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.99
Rot. Bonds2

About 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carbonitrile

1-ethyl-2-pyridin-2-ylbenzimidazole-5-carbonitrile (PubChem CID 65040158) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-pyridin-2-ylbenzimidazole-5-carbonitrile
PubChem CID65040158
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name1-ethyl-2-pyridin-2-ylbenzimidazole-5-carbonitrile
SMILESCCn1c(-c2ccccn2)nc2cc(C#N)ccc21
InChIInChI=1S/C15H12N4/c1-2-19-14-7-6-11(10-16)9-13(14)18-15(19)12-5-3-4-8-17-12/h3-9H,2H2,1H3
InChIKeyWCPGBRWMIKQMPS-UHFFFAOYSA-N
XLogP2.99
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carbonitrile?
The IUPAC name of 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carbonitrile (CID 65040158) is 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carbonitrile?
The canonical SMILES for 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carbonitrile is CCn1c(-c2ccccn2)nc2cc(C#N)ccc21.
What is the InChIKey of 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carbonitrile?
The InChIKey is WCPGBRWMIKQMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c1-2-19-14-7-6-11(10-16)9-13(14)18-15(19)12-5-3-4-8-17-12/h3-9H,2H2,1H3.
What are the key properties of 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carbonitrile?
1-ethyl-2-pyridin-2-ylbenzimidazole-5-carbonitrile has a molecular weight of 248.29 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 65040158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).