5-amino-3-(4-methoxy-2-methylphenyl)sulfonyl-1-methylbenzimidazol-2-one

C16H17N3O4S — CID 110721856

IUPAC5-amino-3-(4-methoxy-2-methylphenyl)sulfonyl-1-methylbenzimidazol-2-one
SMILESCOc1ccc(S(=O)(=O)n2c(=O)n(C)c3ccc(N)cc32)c(C)c1
InChIInChI=1S/C16H17N3O4S/c1-10-8-12(23-3)5-7-15(10)24(21,22)19-14-9-11(17)4-6-13(14)18(2)16(19)20/h4-9H,17H2,1-3H3
InChIKeyOWJWQRUAKSPICY-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.48
Rot. Bonds3

About 5-amino-3-(4-methoxy-2-methylphenyl)sulfonyl-1-methylbenzimidazol-2-one

5-amino-3-(4-methoxy-2-methylphenyl)sulfonyl-1-methylbenzimidazol-2-one (PubChem CID 110721856) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 5-amino-3-(4-methoxy-2-methylphenyl)sulfonyl-1-methylbenzimidazol-2-one.

Molecular Properties

Compound Name5-amino-3-(4-methoxy-2-methylphenyl)sulfonyl-1-methylbenzimidazol-2-one
PubChem CID110721856
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name5-amino-3-(4-methoxy-2-methylphenyl)sulfonyl-1-methylbenzimidazol-2-one
SMILESCOc1ccc(S(=O)(=O)n2c(=O)n(C)c3ccc(N)cc32)c(C)c1
InChIInChI=1S/C16H17N3O4S/c1-10-8-12(23-3)5-7-15(10)24(21,22)19-14-9-11(17)4-6-13(14)18(2)16(19)20/h4-9H,17H2,1-3H3
InChIKeyOWJWQRUAKSPICY-UHFFFAOYSA-N
XLogP1.48
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-3-(4-methoxy-2-methylphenyl)sulfonyl-1-methylbenzimidazol-2-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

5-amino-3-(2-methoxy-5-methylphenyl)sulfonyl-1-methylbenzimidazol-2-one
CID 110721858
5-amino-3-(2-chlorophenyl)sulfonyl-1-methylbenzimidazol-2-one
CID 110721897
2-(6-amino-3-methyl-2-oxobenzimidazol-1-yl)sulfonylbenzonitrile
CID 110721905
5-amino-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1-methylbenzimidazol-2-one
CID 110721887
5-amino-1,3-dimethylbenzimidazol-2-one;azane
CID 67182672
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 47304289
4-(4-methoxy-2-methylphenyl)sulfonyl-1,3-dimethylpiperazin-2-one
CID 110708313
1-(2-methoxyethyl)-4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylpiperazine
CID 110290267
5-(4-methoxy-2-methylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872691
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine
CID 113076150
1-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110818820
4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 110736336

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-methoxy-2-methylphenyl)sulfonyl-1-methylbenzimidazol-2-one?
The IUPAC name of 5-amino-3-(4-methoxy-2-methylphenyl)sulfonyl-1-methylbenzimidazol-2-one (CID 110721856) is 5-amino-3-(4-methoxy-2-methylphenyl)sulfonyl-1-methylbenzimidazol-2-one.
What is the SMILES notation for 5-amino-3-(4-methoxy-2-methylphenyl)sulfonyl-1-methylbenzimidazol-2-one?
The canonical SMILES for 5-amino-3-(4-methoxy-2-methylphenyl)sulfonyl-1-methylbenzimidazol-2-one is COc1ccc(S(=O)(=O)n2c(=O)n(C)c3ccc(N)cc32)c(C)c1.
What is the InChIKey of 5-amino-3-(4-methoxy-2-methylphenyl)sulfonyl-1-methylbenzimidazol-2-one?
The InChIKey is OWJWQRUAKSPICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-10-8-12(23-3)5-7-15(10)24(21,22)19-14-9-11(17)4-6-13(14)18(2)16(19)20/h4-9H,17H2,1-3H3.
What are the key properties of 5-amino-3-(4-methoxy-2-methylphenyl)sulfonyl-1-methylbenzimidazol-2-one?
5-amino-3-(4-methoxy-2-methylphenyl)sulfonyl-1-methylbenzimidazol-2-one has a molecular weight of 347.40 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-methoxy-2-methylphenyl)sulfonyl-1-methylbenzimidazol-2-one is sourced from PubChem (CID 110721856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).