N-methyl-N-[4-(methylamino)-4-oxobutyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide

C17H24N4O3 — CID 146107620

IUPACN-methyl-N-[4-(methylamino)-4-oxobutyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide
SMILESCNC(=O)CCCN(C)C(=O)c1ccc2[nH]c(=O)n(C(C)C)c2c1
InChIInChI=1S/C17H24N4O3/c1-11(2)21-14-10-12(7-8-13(14)19-17(21)24)16(23)20(4)9-5-6-15(22)18-3/h7-8,10-11H,5-6,9H2,1-4H3,(H,18,22)(H,19,24)
InChIKeyBQFMMNFCYTWDLI-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.51
Rot. Bonds6

About N-methyl-N-[4-(methylamino)-4-oxobutyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide

N-methyl-N-[4-(methylamino)-4-oxobutyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide (PubChem CID 146107620) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-methyl-N-[4-(methylamino)-4-oxobutyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[4-(methylamino)-4-oxobutyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide
PubChem CID146107620
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-methyl-N-[4-(methylamino)-4-oxobutyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide
SMILESCNC(=O)CCCN(C)C(=O)c1ccc2[nH]c(=O)n(C(C)C)c2c1
InChIInChI=1S/C17H24N4O3/c1-11(2)21-14-10-12(7-8-13(14)19-17(21)24)16(23)20(4)9-5-6-15(22)18-3/h7-8,10-11H,5-6,9H2,1-4H3,(H,18,22)(H,19,24)
InChIKeyBQFMMNFCYTWDLI-UHFFFAOYSA-N
XLogP1.51
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[4-(methylamino)-4-oxobutyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide 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

N-methyl-N-[7-(methylamino)-7-oxoheptyl]-4-(N-phenylanilino)benzamide
CID 90163549
3-(2-methylpentan-3-yl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82784325
3-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 120516451
6-(dimethylamino)-3-propan-2-yl-1H-benzimidazol-2-one
CID 90717928
(E)-5-methyl-N-(2-oxo-3-propan-2-yl-1H-benzimidazol-5-yl)hex-2-enamide
CID 170673600
N-[(1R,3S)-3-carbamoylcyclopentyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide
CID 154865890
5-(2-amino-1-hydroxyethyl)-3-propan-2-yl-1H-benzimidazol-2-one
CID 83896659
3-hydroxy-4-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 104628237
4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 113339013
4-amino-3-fluoro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913755
4-[3-(methylamino)-3-oxopropyl]-2,3-dioxo-1H-quinoxaline-6-carboxylic acid
CID 82769829
5-imidazol-1-yl-3-propan-2-yl-1H-benzimidazol-2-one
CID 11413816

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(methylamino)-4-oxobutyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide?
The IUPAC name of N-methyl-N-[4-(methylamino)-4-oxobutyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide (CID 146107620) is N-methyl-N-[4-(methylamino)-4-oxobutyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[4-(methylamino)-4-oxobutyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide?
The canonical SMILES for N-methyl-N-[4-(methylamino)-4-oxobutyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide is CNC(=O)CCCN(C)C(=O)c1ccc2[nH]c(=O)n(C(C)C)c2c1.
What is the InChIKey of N-methyl-N-[4-(methylamino)-4-oxobutyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide?
The InChIKey is BQFMMNFCYTWDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-11(2)21-14-10-12(7-8-13(14)19-17(21)24)16(23)20(4)9-5-6-15(22)18-3/h7-8,10-11H,5-6,9H2,1-4H3,(H,18,22)(H,19,24).
What are the key properties of N-methyl-N-[4-(methylamino)-4-oxobutyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide?
N-methyl-N-[4-(methylamino)-4-oxobutyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(methylamino)-4-oxobutyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 146107620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).