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

C12H15N3O — CID 116915401

IUPAC2-amino-2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one
SMILESCc1nc2ccc(C(=O)C(C)(C)N)cc2[nH]1
InChIInChI=1S/C12H15N3O/c1-7-14-9-5-4-8(6-10(9)15-7)11(16)12(2,3)13/h4-6H,13H2,1-3H3,(H,14,15)
InChIKeyBCFLIANXBPDJQT-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.79
Rot. Bonds2

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

2-amino-2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one (PubChem CID 116915401) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-amino-2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one
PubChem CID116915401
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-amino-2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one
SMILESCc1nc2ccc(C(=O)C(C)(C)N)cc2[nH]1
InChIInChI=1S/C12H15N3O/c1-7-14-9-5-4-8(6-10(9)15-7)11(16)12(2,3)13/h4-6H,13H2,1-3H3,(H,14,15)
InChIKeyBCFLIANXBPDJQT-UHFFFAOYSA-N
XLogP1.79
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-methyl-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

3-amino-3-methyl-1-(2-methyl-3H-benzimidazol-5-yl)butan-1-one
CID 116915767
N,2-dimethyl-3H-benzimidazole-5-carbohydrazide
CID 116845661
2,2-dibromo-1-(2-methyl-3H-benzimidazol-5-yl)ethanone
CID 116827124
1-(2-methyl-3H-benzimidazol-5-yl)butan-1-one
CID 39104462
2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid
CID 71243393
4-(2-methyl-3H-benzimidazol-5-yl)-4-oxobutanoic acid
CID 82052609
2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 79797650
methyl 2-(2-methyl-3H-benzimidazol-5-yl)prop-2-enoate
CID 116843263
4-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzoic acid
CID 116927206
2-(methylamino)-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one
CID 82493358
4-amino-1-(2-methyl-3H-benzimidazol-5-yl)pentan-1-one
CID 116916248
N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 70877342

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one?
The IUPAC name of 2-amino-2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one (CID 116915401) is 2-amino-2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one is Cc1nc2ccc(C(=O)C(C)(C)N)cc2[nH]1.
What is the InChIKey of 2-amino-2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one?
The InChIKey is BCFLIANXBPDJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-7-14-9-5-4-8(6-10(9)15-7)11(16)12(2,3)13/h4-6H,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one?
2-amino-2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one has a molecular weight of 217.27 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one is sourced from PubChem (CID 116915401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).