1-methyl-3-(1-methyltriazol-4-yl)benzimidazol-2-one

C11H11N5O — CID 10585488

IUPAC1-methyl-3-(1-methyltriazol-4-yl)benzimidazol-2-one
SMILESCn1cc(-n2c(=O)n(C)c3ccccc32)nn1
InChIInChI=1S/C11H11N5O/c1-14-7-10(12-13-14)16-9-6-4-3-5-8(9)15(2)11(16)17/h3-7H,1-2H3
InChIKeyNTJDEUKWLVKCGY-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.46
Rot. Bonds1

About 1-methyl-3-(1-methyltriazol-4-yl)benzimidazol-2-one

1-methyl-3-(1-methyltriazol-4-yl)benzimidazol-2-one (PubChem CID 10585488) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-methyl-3-(1-methyltriazol-4-yl)benzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-(1-methyltriazol-4-yl)benzimidazol-2-one
PubChem CID10585488
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name1-methyl-3-(1-methyltriazol-4-yl)benzimidazol-2-one
SMILESCn1cc(-n2c(=O)n(C)c3ccccc32)nn1
InChIInChI=1S/C11H11N5O/c1-14-7-10(12-13-14)16-9-6-4-3-5-8(9)15(2)11(16)17/h3-7H,1-2H3
InChIKeyNTJDEUKWLVKCGY-UHFFFAOYSA-N
XLogP0.46
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2H-Benzimidazol-2-one, 1,3-dihydro-1-methyl-3-(3-pyridazinyl)-
CID 3021489
1H-1,2,3-Triazole-1-carboxaMide, N-Methyl-N-phenyl-
CID 46829226
Triazolylphenylurea
CID 57237781
1-[(1-Butyltetrazol-5-yl)methyl]-3-methylbenzimidazol-2-one
CID 75459960
N-{3-[methyl(phenyl)amino]propyl}-N'-(1-methyl-1H-1,2,3-triazol-4-yl)urea
CID 118775499
N-(1-methyl-3-phenyltriazol-1-ium-4-yl)acetamide chloride
CID 134989687
N-{[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl}-N'-(1-propyl-1H-1,2,3-triazol-4-yl)urea
CID 118795008
1-[[(3R)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(1-propyltriazol-4-yl)urea
CID 125174550
1-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(1-propyltriazol-4-yl)urea
CID 125174556
1-[1-(2-Fluorophenyl)pyrrolidin-3-yl]-3-(1-methyltriazol-4-yl)urea
CID 137835132
1-(Benzotriazol-1-ylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one
CID 16669058
1-(Benzotriazol-1-ylmethyl)-3-ethylimidazo[4,5-b]pyridin-2-one
CID 92425085

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methyltriazol-4-yl)benzimidazol-2-one?
The IUPAC name of 1-methyl-3-(1-methyltriazol-4-yl)benzimidazol-2-one (CID 10585488) is 1-methyl-3-(1-methyltriazol-4-yl)benzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-(1-methyltriazol-4-yl)benzimidazol-2-one?
The canonical SMILES for 1-methyl-3-(1-methyltriazol-4-yl)benzimidazol-2-one is Cn1cc(-n2c(=O)n(C)c3ccccc32)nn1.
What is the InChIKey of 1-methyl-3-(1-methyltriazol-4-yl)benzimidazol-2-one?
The InChIKey is NTJDEUKWLVKCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-14-7-10(12-13-14)16-9-6-4-3-5-8(9)15(2)11(16)17/h3-7H,1-2H3.
What are the key properties of 1-methyl-3-(1-methyltriazol-4-yl)benzimidazol-2-one?
1-methyl-3-(1-methyltriazol-4-yl)benzimidazol-2-one has a molecular weight of 229.24 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methyltriazol-4-yl)benzimidazol-2-one is sourced from PubChem (CID 10585488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).