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

C13H14N6O2 — CID 167863877

IUPAC3-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-benzimidazole-5-carboxamide
SMILESCn1cnnc1CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1
InChIInChI=1S/C13H14N6O2/c1-18-7-15-17-11(18)6-14-12(20)8-3-4-9-10(5-8)19(2)13(21)16-9/h3-5,7H,6H2,1-2H3,(H,14,20)(H,16,21)
InChIKeyRQVVGCASBPLXPA-UHFFFAOYSA-N
MW286.30 g/mol
LogP-0.07
Rot. Bonds3

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

3-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-benzimidazole-5-carboxamide (PubChem CID 167863877) has the molecular formula C13H14N6O2 and a molecular weight of 286.30 g/mol. Its IUPAC name is 3-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-benzimidazole-5-carboxamide
PubChem CID167863877
Molecular FormulaC13H14N6O2
Molecular Weight286.30 g/mol
Exact Mass286.12
IUPAC Name3-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-benzimidazole-5-carboxamide
SMILESCn1cnnc1CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1
InChIInChI=1S/C13H14N6O2/c1-18-7-15-17-11(18)6-14-12(20)8-3-4-9-10(5-8)19(2)13(21)16-9/h3-5,7H,6H2,1-2H3,(H,14,20)(H,16,21)
InChIKeyRQVVGCASBPLXPA-UHFFFAOYSA-N
XLogP-0.07
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 54904691
4-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 47158502
3-bromo-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 79466645
4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-sulfanylbenzamide
CID 107027919
3-bromo-4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 103706759
3-methyl-4-(methylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 63213606
4-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-nitrobenzamide
CID 61052023
4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-nitrobenzamide
CID 61052024
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61003653
6-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 60754840
4-amino-N-[2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]benzamide
CID 61003098
6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103717543

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-benzimidazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-benzimidazole-5-carboxamide (CID 167863877) is 3-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-benzimidazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-benzimidazole-5-carboxamide is Cn1cnnc1CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1.
What is the InChIKey of 3-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-benzimidazole-5-carboxamide?
The InChIKey is RQVVGCASBPLXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2/c1-18-7-15-17-11(18)6-14-12(20)8-3-4-9-10(5-8)19(2)13(21)16-9/h3-5,7H,6H2,1-2H3,(H,14,20)(H,16,21).
What are the key properties of 3-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-benzimidazole-5-carboxamide?
3-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-benzimidazole-5-carboxamide has a molecular weight of 286.30 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 167863877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).