1-methyl-N-(1-methylbenzimidazol-2-yl)triazole-4-carboxamide

C12H12N6O — CID 110471540

IUPAC1-methyl-N-(1-methylbenzimidazol-2-yl)triazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2nc3ccccc3n2C)nn1
InChIInChI=1S/C12H12N6O/c1-17-7-9(15-16-17)11(19)14-12-13-8-5-3-4-6-10(8)18(12)2/h3-7H,1-2H3,(H,13,14,19)
InChIKeyZQCXYRRIJYHLKF-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.95
Rot. Bonds2

About 1-methyl-N-(1-methylbenzimidazol-2-yl)triazole-4-carboxamide

1-methyl-N-(1-methylbenzimidazol-2-yl)triazole-4-carboxamide (PubChem CID 110471540) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 1-methyl-N-(1-methylbenzimidazol-2-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1-methylbenzimidazol-2-yl)triazole-4-carboxamide
PubChem CID110471540
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name1-methyl-N-(1-methylbenzimidazol-2-yl)triazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2nc3ccccc3n2C)nn1
InChIInChI=1S/C12H12N6O/c1-17-7-9(15-16-17)11(19)14-12-13-8-5-3-4-6-10(8)18(12)2/h3-7H,1-2H3,(H,13,14,19)
InChIKeyZQCXYRRIJYHLKF-UHFFFAOYSA-N
XLogP0.95
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-hydroxyphenyl)-1-methyltriazole-4-carboxamide
CID 136716966
2,4-dimethyl-N-(1-methylbenzimidazol-2-yl)-1,3-oxazole-5-carboxamide
CID 10333328
2,5-dimethyl-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 19481245
3-amino-N-(1-methylbenzimidazol-2-yl)benzamide
CID 110474422
N-(1-methylbenzimidazol-2-yl)-4-phenoxybenzamide
CID 72725713
2-(difluoromethyl)-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 19506776
N-(4-tert-butylphenyl)-1-methyltriazole-4-carboxamide
CID 110439460
3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide
CID 139382529
1-propan-2-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]triazole-4-carboxamide
CID 167815697
N-(2-ethylphenyl)-1-methyltriazole-4-carboxamide
CID 45497225
1-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)urea
CID 35280532
N-(1-methylbenzimidazol-2-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 139022042

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methylbenzimidazol-2-yl)triazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(1-methylbenzimidazol-2-yl)triazole-4-carboxamide (CID 110471540) is 1-methyl-N-(1-methylbenzimidazol-2-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(1-methylbenzimidazol-2-yl)triazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(1-methylbenzimidazol-2-yl)triazole-4-carboxamide is Cn1cc(C(=O)Nc2nc3ccccc3n2C)nn1.
What is the InChIKey of 1-methyl-N-(1-methylbenzimidazol-2-yl)triazole-4-carboxamide?
The InChIKey is ZQCXYRRIJYHLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-17-7-9(15-16-17)11(19)14-12-13-8-5-3-4-6-10(8)18(12)2/h3-7H,1-2H3,(H,13,14,19).
What are the key properties of 1-methyl-N-(1-methylbenzimidazol-2-yl)triazole-4-carboxamide?
1-methyl-N-(1-methylbenzimidazol-2-yl)triazole-4-carboxamide has a molecular weight of 256.27 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methylbenzimidazol-2-yl)triazole-4-carboxamide is sourced from PubChem (CID 110471540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).