2-(2-methylbenzimidazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C17H14N4 — CID 79752103

IUPAC2-(2-methylbenzimidazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1nc2ccccc2n1-c1nc2c(cc1C#N)CCC2
InChIInChI=1S/C17H14N4/c1-11-19-15-6-2-3-8-16(15)21(11)17-13(10-18)9-12-5-4-7-14(12)20-17/h2-3,6,8-9H,4-5,7H2,1H3
InChIKeyPWWHRNMQPLLDPU-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.09
Rot. Bonds1

About 2-(2-methylbenzimidazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-(2-methylbenzimidazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 79752103) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID79752103
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name2-(2-methylbenzimidazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1nc2ccccc2n1-c1nc2c(cc1C#N)CCC2
InChIInChI=1S/C17H14N4/c1-11-19-15-6-2-3-8-16(15)21(11)17-13(10-18)9-12-5-4-7-14(12)20-17/h2-3,6,8-9H,4-5,7H2,1H3
InChIKeyPWWHRNMQPLLDPU-UHFFFAOYSA-N
XLogP3.09
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylbenzimidazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzimidazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 79752103) is 2-(2-methylbenzimidazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is Cc1nc2ccccc2n1-c1nc2c(cc1C#N)CCC2.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is PWWHRNMQPLLDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-11-19-15-6-2-3-8-16(15)21(11)17-13(10-18)9-12-5-4-7-14(12)20-17/h2-3,6,8-9H,4-5,7H2,1H3.
What are the key properties of 2-(2-methylbenzimidazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-(2-methylbenzimidazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 274.33 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzimidazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 79752103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).