2-quinoxalin-2-yl-3H-benzimidazole-5-carbonitrile

C16H9N5 — CID 107356609

IUPAC2-quinoxalin-2-yl-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3cnc4ccccc4n3)[nH]c2c1
InChIInChI=1S/C16H9N5/c17-8-10-5-6-13-14(7-10)21-16(20-13)15-9-18-11-3-1-2-4-12(11)19-15/h1-7,9H,(H,20,21)
InChIKeyBDDZAOPOUXMIFJ-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.04
Rot. Bonds1

About 2-quinoxalin-2-yl-3H-benzimidazole-5-carbonitrile

2-quinoxalin-2-yl-3H-benzimidazole-5-carbonitrile (PubChem CID 107356609) has the molecular formula C16H9N5 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-quinoxalin-2-yl-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-quinoxalin-2-yl-3H-benzimidazole-5-carbonitrile
PubChem CID107356609
Molecular FormulaC16H9N5
Molecular Weight271.28 g/mol
Exact Mass271.09
IUPAC Name2-quinoxalin-2-yl-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3cnc4ccccc4n3)[nH]c2c1
InChIInChI=1S/C16H9N5/c17-8-10-5-6-13-14(7-10)21-16(20-13)15-9-18-11-3-1-2-4-12(11)19-15/h1-7,9H,(H,20,21)
InChIKeyBDDZAOPOUXMIFJ-UHFFFAOYSA-N
XLogP3.04
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-quinoxalin-2-yl-3H-benzimidazole-5-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-quinolin-2-yl-3H-benzimidazole-5-carbonitrile
CID 79004134
2-[6-(4-cyanophenyl)-2-pyridinyl]-3H-benzimidazole-5-carbonitrile
CID 69437638
2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 10489821
3-fluoro-4-quinoxalin-2-ylbenzonitrile
CID 135058475
2-(4-phenoxyphenyl)-3H-benzimidazole-5-carbonitrile
CID 11209127
6-(6-bromo-1H-benzimidazol-2-yl)pyridine-3-carbonitrile
CID 64725155
2-(2-methyl-1,3-thiazol-4-yl)-3H-benzimidazole-5-carbonitrile
CID 79004870
2-(2,4,6-trifluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004638
2-(2,3-difluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004256
2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carbonitrile
CID 78908144
4-(6-hydroxy-1H-benzimidazol-2-yl)benzonitrile
CID 81431797
2-(5-bromo-2-chlorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004257

Frequently Asked Questions

What is the IUPAC name of 2-quinoxalin-2-yl-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-quinoxalin-2-yl-3H-benzimidazole-5-carbonitrile (CID 107356609) is 2-quinoxalin-2-yl-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-quinoxalin-2-yl-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-quinoxalin-2-yl-3H-benzimidazole-5-carbonitrile is N#Cc1ccc2nc(-c3cnc4ccccc4n3)[nH]c2c1.
What is the InChIKey of 2-quinoxalin-2-yl-3H-benzimidazole-5-carbonitrile?
The InChIKey is BDDZAOPOUXMIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N5/c17-8-10-5-6-13-14(7-10)21-16(20-13)15-9-18-11-3-1-2-4-12(11)19-15/h1-7,9H,(H,20,21).
What are the key properties of 2-quinoxalin-2-yl-3H-benzimidazole-5-carbonitrile?
2-quinoxalin-2-yl-3H-benzimidazole-5-carbonitrile has a molecular weight of 271.28 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinoxalin-2-yl-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 107356609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).