N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1H-benzimidazol-2-yl)propanamide

C17H26N4O — CID 119654740

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
SMILESCc1cccc2[nH]c(CCC(=O)N(C)CC(C)(C)CN)nc12
InChIInChI=1S/C17H26N4O/c1-12-6-5-7-13-16(12)20-14(19-13)8-9-15(22)21(4)11-17(2,3)10-18/h5-7H,8-11,18H2,1-4H3,(H,19,20)
InChIKeyRXKJDBKUOBPENS-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.25
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1H-benzimidazol-2-yl)propanamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1H-benzimidazol-2-yl)propanamide (PubChem CID 119654740) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1H-benzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
PubChem CID119654740
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
SMILESCc1cccc2[nH]c(CCC(=O)N(C)CC(C)(C)CN)nc12
InChIInChI=1S/C17H26N4O/c1-12-6-5-7-13-16(12)20-14(19-13)8-9-15(22)21(4)11-17(2,3)10-18/h5-7H,8-11,18H2,1-4H3,(H,19,20)
InChIKeyRXKJDBKUOBPENS-UHFFFAOYSA-N
XLogP2.25
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1H-benzimidazol-2-yl)propanamide 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-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 111831412
2-[methyl-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]amino]propanoic acid
CID 119358657
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 119607252
N-(3-aminobutyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 119497235
N-(3-amino-2,2-dimethylpropyl)-3-(4-fluorophenyl)-N-methylpropanamide;hydrochloride
CID 119652327
N-(3-amino-2,2-dimethylpropyl)-2-(2,6-dimethylanilino)-N-methylacetamide;dihydrochloride
CID 119657129
N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine
CID 58884472
N-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 79652961
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 70761369
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(4-methyl-1H-benzimidazol-2-yl)propan-1-one
CID 119632771
3-[(2R)-2-methoxypropyl]-1-methyl-1-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]urea
CID 125437978
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(4-methyl-1H-benzimidazol-2-yl)propan-1-one
CID 119485259

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1H-benzimidazol-2-yl)propanamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1H-benzimidazol-2-yl)propanamide (CID 119654740) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1H-benzimidazol-2-yl)propanamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1H-benzimidazol-2-yl)propanamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1H-benzimidazol-2-yl)propanamide is Cc1cccc2[nH]c(CCC(=O)N(C)CC(C)(C)CN)nc12.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1H-benzimidazol-2-yl)propanamide?
The InChIKey is RXKJDBKUOBPENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-12-6-5-7-13-16(12)20-14(19-13)8-9-15(22)21(4)11-17(2,3)10-18/h5-7H,8-11,18H2,1-4H3,(H,19,20).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1H-benzimidazol-2-yl)propanamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1H-benzimidazol-2-yl)propanamide has a molecular weight of 302.42 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1H-benzimidazol-2-yl)propanamide is sourced from PubChem (CID 119654740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).