5-(benzylsulfamoylamino)-6-methoxy-1,3-dimethylbenzimidazol-2-one

C17H20N4O4S — CID 56912575

IUPAC5-(benzylsulfamoylamino)-6-methoxy-1,3-dimethylbenzimidazol-2-one
SMILESCOc1cc2c(cc1NS(=O)(=O)NCc1ccccc1)n(C)c(=O)n2C
InChIInChI=1S/C17H20N4O4S/c1-20-14-9-13(16(25-3)10-15(14)21(2)17(20)22)19-26(23,24)18-11-12-7-5-4-6-8-12/h4-10,18-19H,11H2,1-3H3
InChIKeyOIJUJWVDBRJFMU-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.33
Rot. Bonds6

About 5-(benzylsulfamoylamino)-6-methoxy-1,3-dimethylbenzimidazol-2-one

5-(benzylsulfamoylamino)-6-methoxy-1,3-dimethylbenzimidazol-2-one (PubChem CID 56912575) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is 5-(benzylsulfamoylamino)-6-methoxy-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-(benzylsulfamoylamino)-6-methoxy-1,3-dimethylbenzimidazol-2-one
PubChem CID56912575
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Name5-(benzylsulfamoylamino)-6-methoxy-1,3-dimethylbenzimidazol-2-one
SMILESCOc1cc2c(cc1NS(=O)(=O)NCc1ccccc1)n(C)c(=O)n2C
InChIInChI=1S/C17H20N4O4S/c1-20-14-9-13(16(25-3)10-15(14)21(2)17(20)22)19-26(23,24)18-11-12-7-5-4-6-8-12/h4-10,18-19H,11H2,1-3H3
InChIKeyOIJUJWVDBRJFMU-UHFFFAOYSA-N
XLogP1.33
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethoxy-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
CID 22433922
N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]propane-1-sulfonamide
CID 15990260
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide
CID 50796762
4-bromo-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide
CID 35397514
N-[(4-methoxyphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1475423
1-benzyl-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea
CID 50797574
N-[1,3-dimethyl-2-oxo-6-(3-phenylmethoxyphenoxy)benzimidazol-5-yl]-3,4-dimethylbenzenesulfonamide
CID 118909781
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-phenylmethanesulfonamide
CID 27210910
N-(methylsulfamoyl)-1-phenylmethanamine
CID 20676291
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 50796868
N-benzyl-2-methoxy-4-methylbenzenesulfonamide
CID 801458
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991

Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoylamino)-6-methoxy-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-(benzylsulfamoylamino)-6-methoxy-1,3-dimethylbenzimidazol-2-one (CID 56912575) is 5-(benzylsulfamoylamino)-6-methoxy-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-(benzylsulfamoylamino)-6-methoxy-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-(benzylsulfamoylamino)-6-methoxy-1,3-dimethylbenzimidazol-2-one is COc1cc2c(cc1NS(=O)(=O)NCc1ccccc1)n(C)c(=O)n2C.
What is the InChIKey of 5-(benzylsulfamoylamino)-6-methoxy-1,3-dimethylbenzimidazol-2-one?
The InChIKey is OIJUJWVDBRJFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-20-14-9-13(16(25-3)10-15(14)21(2)17(20)22)19-26(23,24)18-11-12-7-5-4-6-8-12/h4-10,18-19H,11H2,1-3H3.
What are the key properties of 5-(benzylsulfamoylamino)-6-methoxy-1,3-dimethylbenzimidazol-2-one?
5-(benzylsulfamoylamino)-6-methoxy-1,3-dimethylbenzimidazol-2-one has a molecular weight of 376.44 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoylamino)-6-methoxy-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 56912575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).