1-methyl-2-(1-methyltriazol-4-yl)benzimidazole-4-carbonitrile

C12H10N6 — CID 112735729

IUPAC1-methyl-2-(1-methyltriazol-4-yl)benzimidazole-4-carbonitrile
SMILESCn1cc(-c2nc3c(C#N)cccc3n2C)nn1
InChIInChI=1S/C12H10N6/c1-17-7-9(15-16-17)12-14-11-8(6-13)4-3-5-10(11)18(12)2/h3-5,7H,1-2H3
InChIKeyZHESPXIZZGNBKR-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.24
Rot. Bonds1

About 1-methyl-2-(1-methyltriazol-4-yl)benzimidazole-4-carbonitrile

1-methyl-2-(1-methyltriazol-4-yl)benzimidazole-4-carbonitrile (PubChem CID 112735729) has the molecular formula C12H10N6 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-methyl-2-(1-methyltriazol-4-yl)benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-(1-methyltriazol-4-yl)benzimidazole-4-carbonitrile
PubChem CID112735729
Molecular FormulaC12H10N6
Molecular Weight238.25 g/mol
Exact Mass238.10
IUPAC Name1-methyl-2-(1-methyltriazol-4-yl)benzimidazole-4-carbonitrile
SMILESCn1cc(-c2nc3c(C#N)cccc3n2C)nn1
InChIInChI=1S/C12H10N6/c1-17-7-9(15-16-17)12-14-11-8(6-13)4-3-5-10(11)18(12)2/h3-5,7H,1-2H3
InChIKeyZHESPXIZZGNBKR-UHFFFAOYSA-N
XLogP1.24
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methyl-2-(1-methyltriazol-4-yl)benzimidazole-4-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-(3-ethyl-1-methylpyrazol-4-yl)-1-methylbenzimidazole-4-carbonitrile
CID 102811455
2-(5-fluoro-2-pyridinyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720812
2-(5-bromothiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile
CID 113445205
2-(4-iodophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720981
2-(2-bromo-3-fluorophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720863
2-(3,5-dichlorophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720958
2-(2,4-dibromophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 107941821
1-methyl-2-(3-methylfuran-2-yl)benzimidazole-4-carbonitrile
CID 104720919
2-[4-(dimethylamino)phenyl]-1-methylbenzimidazole-4-carbonitrile
CID 104720831
1-methyl-2-(3-methyl-1,2-oxazol-5-yl)benzimidazole-4-carbonitrile
CID 113445212
1-methyl-2-(1,3,5-trimethylpyrazol-4-yl)benzimidazole-4-carbonitrile
CID 104720742
2-[3-(dimethylamino)phenyl]-1-methylbenzimidazole-4-carbonitrile
CID 104720712

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-methyltriazol-4-yl)benzimidazole-4-carbonitrile?
The IUPAC name of 1-methyl-2-(1-methyltriazol-4-yl)benzimidazole-4-carbonitrile (CID 112735729) is 1-methyl-2-(1-methyltriazol-4-yl)benzimidazole-4-carbonitrile.
What is the SMILES notation for 1-methyl-2-(1-methyltriazol-4-yl)benzimidazole-4-carbonitrile?
The canonical SMILES for 1-methyl-2-(1-methyltriazol-4-yl)benzimidazole-4-carbonitrile is Cn1cc(-c2nc3c(C#N)cccc3n2C)nn1.
What is the InChIKey of 1-methyl-2-(1-methyltriazol-4-yl)benzimidazole-4-carbonitrile?
The InChIKey is ZHESPXIZZGNBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6/c1-17-7-9(15-16-17)12-14-11-8(6-13)4-3-5-10(11)18(12)2/h3-5,7H,1-2H3.
What are the key properties of 1-methyl-2-(1-methyltriazol-4-yl)benzimidazole-4-carbonitrile?
1-methyl-2-(1-methyltriazol-4-yl)benzimidazole-4-carbonitrile has a molecular weight of 238.25 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-methyltriazol-4-yl)benzimidazole-4-carbonitrile is sourced from PubChem (CID 112735729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).