1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide

C12H17N3O3S — CID 3158003

IUPAC1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C12H17N3O3S/c1-4-7-13-19(17,18)9-5-6-10-11(8-9)15(3)12(16)14(10)2/h5-6,8,13H,4,7H2,1-3H3
InChIKeyMAMOXDCTQCWFGQ-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.57
Rot. Bonds4

About 1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide

1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide (PubChem CID 3158003) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide
PubChem CID3158003
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C12H17N3O3S/c1-4-7-13-19(17,18)9-5-6-10-11(8-9)15(3)12(16)14(10)2/h5-6,8,13H,4,7H2,1-3H3
InChIKeyMAMOXDCTQCWFGQ-UHFFFAOYSA-N
XLogP0.57
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide 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-butyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 49453627
N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride
CID 120717558
N-[2-[4-(dimethylamino)phenyl]ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 52858164
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-sulfonamide
CID 49454127
N-[(4-fluorophenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886481
4-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]ethoxy]benzoate
CID 7335403
N-(1-amino-2-methylpropan-2-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 119975623
ethyl 4-[[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]methyl]benzoate
CID 49456162
N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886497
N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 154763658
(2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-N-ethylpropanamide
CID 94380917
N-butyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 20859011

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide (CID 3158003) is 1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide is CCCNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide?
The InChIKey is MAMOXDCTQCWFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-4-7-13-19(17,18)9-5-6-10-11(8-9)15(3)12(16)14(10)2/h5-6,8,13H,4,7H2,1-3H3.
What are the key properties of 1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide?
1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide has a molecular weight of 283.35 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide is sourced from PubChem (CID 3158003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).