1,3-dimethyl-2-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzimidazole-5-sulfonamide

C20H22N4O4S — CID 49369107

IUPAC1,3-dimethyl-2-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cccc(CN4CCCC4=O)c3)ccc21
InChIInChI=1S/C20H22N4O4S/c1-22-17-9-8-16(12-18(17)23(2)20(22)26)29(27,28)21-15-6-3-5-14(11-15)13-24-10-4-7-19(24)25/h3,5-6,8-9,11-12,21H,4,7,10,13H2,1-2H3
InChIKeyAOXAUIWBDUPZGJ-UHFFFAOYSA-N
MW414.49 g/mol
LogP1.80
Rot. Bonds5

About 1,3-dimethyl-2-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzimidazole-5-sulfonamide

1,3-dimethyl-2-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzimidazole-5-sulfonamide (PubChem CID 49369107) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 1,3-dimethyl-2-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-2-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzimidazole-5-sulfonamide
PubChem CID49369107
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name1,3-dimethyl-2-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cccc(CN4CCCC4=O)c3)ccc21
InChIInChI=1S/C20H22N4O4S/c1-22-17-9-8-16(12-18(17)23(2)20(22)26)29(27,28)21-15-6-3-5-14(11-15)13-24-10-4-7-19(24)25/h3,5-6,8-9,11-12,21H,4,7,10,13H2,1-2H3
InChIKeyAOXAUIWBDUPZGJ-UHFFFAOYSA-N
XLogP1.80
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide
CID 47062838
N-(3-cyanophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 49368704
5-fluoro-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide
CID 47062837
N-[3-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 166335528
1,3-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxobenzimidazole-5-sulfonamide
CID 20962052
1-[[3-(bromomethyl)phenyl]methyl]pyrrolidin-2-one
CID 164596581
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-ethylphenyl)acetamide
CID 50784564
1-[(3-bromophenyl)methyl]pyrrolidin-2-one
CID 61414137
3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide
CID 30875155
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide
CID 43062423
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 30873107
1-[(3-ethylphenyl)methyl]piperidin-2-one
CID 70929088

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzimidazole-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-2-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzimidazole-5-sulfonamide (CID 49369107) is 1,3-dimethyl-2-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzimidazole-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-2-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzimidazole-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-2-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzimidazole-5-sulfonamide is Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cccc(CN4CCCC4=O)c3)ccc21.
What is the InChIKey of 1,3-dimethyl-2-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzimidazole-5-sulfonamide?
The InChIKey is AOXAUIWBDUPZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-22-17-9-8-16(12-18(17)23(2)20(22)26)29(27,28)21-15-6-3-5-14(11-15)13-24-10-4-7-19(24)25/h3,5-6,8-9,11-12,21H,4,7,10,13H2,1-2H3.
What are the key properties of 1,3-dimethyl-2-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzimidazole-5-sulfonamide?
1,3-dimethyl-2-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzimidazole-5-sulfonamide has a molecular weight of 414.49 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzimidazole-5-sulfonamide is sourced from PubChem (CID 49369107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).