3-amino-6-[2-(cyanomethyl)benzimidazol-1-yl]pyridine-2-carbonitrile

C15H10N6 — CID 103469387

IUPAC3-amino-6-[2-(cyanomethyl)benzimidazol-1-yl]pyridine-2-carbonitrile
SMILESN#CCc1nc2ccccc2n1-c1ccc(N)c(C#N)n1
InChIInChI=1S/C15H10N6/c16-8-7-15-19-11-3-1-2-4-13(11)21(15)14-6-5-10(18)12(9-17)20-14/h1-6H,7,18H2
InChIKeyOMPNRFSFKIKNKV-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.94
Rot. Bonds2

About 3-amino-6-[2-(cyanomethyl)benzimidazol-1-yl]pyridine-2-carbonitrile

3-amino-6-[2-(cyanomethyl)benzimidazol-1-yl]pyridine-2-carbonitrile (PubChem CID 103469387) has the molecular formula C15H10N6 and a molecular weight of 274.29 g/mol. Its IUPAC name is 3-amino-6-[2-(cyanomethyl)benzimidazol-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[2-(cyanomethyl)benzimidazol-1-yl]pyridine-2-carbonitrile
PubChem CID103469387
Molecular FormulaC15H10N6
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name3-amino-6-[2-(cyanomethyl)benzimidazol-1-yl]pyridine-2-carbonitrile
SMILESN#CCc1nc2ccccc2n1-c1ccc(N)c(C#N)n1
InChIInChI=1S/C15H10N6/c16-8-7-15-19-11-3-1-2-4-13(11)21(15)14-6-5-10(18)12(9-17)20-14/h1-6H,7,18H2
InChIKeyOMPNRFSFKIKNKV-UHFFFAOYSA-N
XLogP1.94
TPSA104.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-amino-6-[2-(cyanomethyl)benzimidazol-1-yl]pyridine-2-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-(4-aminophenyl)benzimidazol-2-yl]acetonitrile
CID 63641531
3-amino-4-[2-(cyanomethyl)benzimidazol-1-yl]benzonitrile
CID 63641017
2-[1-(2-amino-5-chlorophenyl)benzimidazol-2-yl]acetonitrile
CID 115469201
2-[1-(2-amino-3-fluorophenyl)benzimidazol-2-yl]acetonitrile
CID 63638967
2-[1-(2-amino-4-chloro-5-fluorophenyl)benzimidazol-2-yl]acetonitrile
CID 66079431
2-[2-(cyanomethyl)benzimidazol-1-yl]-3-methylbenzonitrile
CID 107107391
2-[1-(6-propylpyrimidin-4-yl)benzimidazol-2-yl]acetonitrile
CID 63637394
2-[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]acetonitrile
CID 83062998
2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]acetonitrile
CID 65208570
2-[1-[4-(aminomethyl)-3-methylphenyl]benzimidazol-2-yl]acetonitrile
CID 63640861
2-[1-[4-(aminomethyl)-2-fluorophenyl]benzimidazol-2-yl]acetonitrile
CID 63640512
2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile
CID 55247145

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[2-(cyanomethyl)benzimidazol-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[2-(cyanomethyl)benzimidazol-1-yl]pyridine-2-carbonitrile (CID 103469387) is 3-amino-6-[2-(cyanomethyl)benzimidazol-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[2-(cyanomethyl)benzimidazol-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[2-(cyanomethyl)benzimidazol-1-yl]pyridine-2-carbonitrile is N#CCc1nc2ccccc2n1-c1ccc(N)c(C#N)n1.
What is the InChIKey of 3-amino-6-[2-(cyanomethyl)benzimidazol-1-yl]pyridine-2-carbonitrile?
The InChIKey is OMPNRFSFKIKNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6/c16-8-7-15-19-11-3-1-2-4-13(11)21(15)14-6-5-10(18)12(9-17)20-14/h1-6H,7,18H2.
What are the key properties of 3-amino-6-[2-(cyanomethyl)benzimidazol-1-yl]pyridine-2-carbonitrile?
3-amino-6-[2-(cyanomethyl)benzimidazol-1-yl]pyridine-2-carbonitrile has a molecular weight of 274.29 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[2-(cyanomethyl)benzimidazol-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 103469387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).