2-(methylamino)-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one

C12H15N3O — CID 82493358

IUPAC2-(methylamino)-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one
SMILESCNC(C)C(=O)c1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C12H15N3O/c1-7(13-3)12(16)9-4-5-10-11(6-9)15-8(2)14-10/h4-7,13H,1-3H3,(H,14,15)
InChIKeyAQZVGELIYUVHGE-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.66
Rot. Bonds3

About 2-(methylamino)-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one

2-(methylamino)-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one (PubChem CID 82493358) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(methylamino)-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-(methylamino)-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one
PubChem CID82493358
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(methylamino)-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one
SMILESCNC(C)C(=O)c1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C12H15N3O/c1-7(13-3)12(16)9-4-5-10-11(6-9)15-8(2)14-10/h4-7,13H,1-3H3,(H,14,15)
InChIKeyAQZVGELIYUVHGE-UHFFFAOYSA-N
XLogP1.66
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(methylamino)-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one 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

Mebendazole
CID 4030
Flubendazole
CID 35802
Veliparib
CID 11960529
Aminomebendazole
CID 40320
Cyclobendazole
CID 35803
Pf-06305591
CID 71666749
2-(1-propylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
CID 9925908
2-(1H-1,3-benzodiazol-2-yl)-1-(4-nitrophenyl)ethan-1-one
CID 3749366
2-[(2s)-2-Methylpyrrolidin-2-Yl]-1h-Benzimidazole-7-Carboxamide
CID 11842604
2-(1,3-dimethylpyrrolidin-3-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 25190749
(R)-2-(2-methylpyrrolidin-2-yl)-1H-benzo(d)imidazole-4-carboxamide dihydrochloride
CID 45480520
2-(1H-Benzimidazol-2-yl)-1-(4-methylphenyl)ethanone
CID 2386123

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one?
The IUPAC name of 2-(methylamino)-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one (CID 82493358) is 2-(methylamino)-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one.
What is the SMILES notation for 2-(methylamino)-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one?
The canonical SMILES for 2-(methylamino)-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one is CNC(C)C(=O)c1ccc2nc(C)[nH]c2c1.
What is the InChIKey of 2-(methylamino)-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one?
The InChIKey is AQZVGELIYUVHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-7(13-3)12(16)9-4-5-10-11(6-9)15-8(2)14-10/h4-7,13H,1-3H3,(H,14,15).
What are the key properties of 2-(methylamino)-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one?
2-(methylamino)-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one has a molecular weight of 217.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one is sourced from PubChem (CID 82493358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).