3-methyl-N-(1H-1,2,4-triazol-5-yl)benzimidazole-5-carboxamide

C11H10N6O — CID 110469115

IUPAC3-methyl-N-(1H-1,2,4-triazol-5-yl)benzimidazole-5-carboxamide
SMILESCn1cnc2ccc(C(=O)Nc3ncn[nH]3)cc21
InChIInChI=1S/C11H10N6O/c1-17-6-13-8-3-2-7(4-9(8)17)10(18)15-11-12-5-14-16-11/h2-6H,1H3,(H2,12,14,15,16,18)
InChIKeyUTZHKZDZOGXMAK-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.94
Rot. Bonds2

About 3-methyl-N-(1H-1,2,4-triazol-5-yl)benzimidazole-5-carboxamide

3-methyl-N-(1H-1,2,4-triazol-5-yl)benzimidazole-5-carboxamide (PubChem CID 110469115) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is 3-methyl-N-(1H-1,2,4-triazol-5-yl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1H-1,2,4-triazol-5-yl)benzimidazole-5-carboxamide
PubChem CID110469115
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name3-methyl-N-(1H-1,2,4-triazol-5-yl)benzimidazole-5-carboxamide
SMILESCn1cnc2ccc(C(=O)Nc3ncn[nH]3)cc21
InChIInChI=1S/C11H10N6O/c1-17-6-13-8-3-2-7(4-9(8)17)10(18)15-11-12-5-14-16-11/h2-6H,1H3,(H2,12,14,15,16,18)
InChIKeyUTZHKZDZOGXMAK-UHFFFAOYSA-N
XLogP0.94
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-(1H-1,2,4-triazol-5-yl)indazole-6-carboxamide
CID 110475562
N-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide
CID 110469160
N-(3,5-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide
CID 110469182
2-methyl-N-(1H-1,2,4-triazol-5-yl)-1,3-benzothiazole-6-carboxamide
CID 126195886
N-cyclopropyl-3-methylbenzimidazole-5-carboxamide
CID 110469101
3-methylbenzimidazole-5-carboxamide
CID 21105052
4-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30866056
6-oxo-N-(1H-1,2,4-triazol-5-yl)pyran-3-carboxamide
CID 60722966
N-(1H-1,2,4-triazol-5-yl)-1H-indole-5-carboxamide
CID 63718442
1-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzimidazole-5-carboxamide
CID 110469081
azepan-1-yl-(3-methylbenzimidazol-5-yl)methanone
CID 110469131
3-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 3807378

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1H-1,2,4-triazol-5-yl)benzimidazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(1H-1,2,4-triazol-5-yl)benzimidazole-5-carboxamide (CID 110469115) is 3-methyl-N-(1H-1,2,4-triazol-5-yl)benzimidazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(1H-1,2,4-triazol-5-yl)benzimidazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(1H-1,2,4-triazol-5-yl)benzimidazole-5-carboxamide is Cn1cnc2ccc(C(=O)Nc3ncn[nH]3)cc21.
What is the InChIKey of 3-methyl-N-(1H-1,2,4-triazol-5-yl)benzimidazole-5-carboxamide?
The InChIKey is UTZHKZDZOGXMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c1-17-6-13-8-3-2-7(4-9(8)17)10(18)15-11-12-5-14-16-11/h2-6H,1H3,(H2,12,14,15,16,18).
What are the key properties of 3-methyl-N-(1H-1,2,4-triazol-5-yl)benzimidazole-5-carboxamide?
3-methyl-N-(1H-1,2,4-triazol-5-yl)benzimidazole-5-carboxamide has a molecular weight of 242.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1H-1,2,4-triazol-5-yl)benzimidazole-5-carboxamide is sourced from PubChem (CID 110469115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).