5-pyrrolidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one

C11H13N3O3S — CID 893000

IUPAC5-pyrrolidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(S(=O)(=O)N3CCCC3)cc2[nH]1
InChIInChI=1S/C11H13N3O3S/c15-11-12-9-4-3-8(7-10(9)13-11)18(16,17)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2,(H2,12,13,15)
InChIKeyKUEZVOJXJLEZFI-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.64
Rot. Bonds2

About 5-pyrrolidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one

5-pyrrolidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one (PubChem CID 893000) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 5-pyrrolidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-pyrrolidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one
PubChem CID893000
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name5-pyrrolidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(S(=O)(=O)N3CCCC3)cc2[nH]1
InChIInChI=1S/C11H13N3O3S/c15-11-12-9-4-3-8(7-10(9)13-11)18(16,17)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2,(H2,12,13,15)
InChIKeyKUEZVOJXJLEZFI-UHFFFAOYSA-N
XLogP0.64
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-pyrrolidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-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

Mls003106479
CID 3370705
N-(3-methoxypropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 16193893
2,3-Dihydro-2-oxo-1-propyl-1H-benzimidazole-5-sulfonamide
CID 28819101
(1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazole-5-sulfonylamino)-acetic acid
CID 3158007
4-(2-oxoimidazolidin-1-yl)-N-phenylbenzenesulfonamide
CID 53372354
1,3-Dimethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-one
CID 751863
2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
CID 719684
1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonic acid
CID 2055845
N-(4-{[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)sulfonyl]amino}phenyl)acetamide
CID 2956331
N-(2-methoxyethyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 3158005
N,N,1-triethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide
CID 3427299
1-butyl-5-(piperidine-1-sulfonyl)-1H-1,3-benzodiazole-2-thiol
CID 3527584

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-pyrrolidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one (CID 893000) is 5-pyrrolidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-pyrrolidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-pyrrolidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(S(=O)(=O)N3CCCC3)cc2[nH]1.
What is the InChIKey of 5-pyrrolidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one?
The InChIKey is KUEZVOJXJLEZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c15-11-12-9-4-3-8(7-10(9)13-11)18(16,17)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2,(H2,12,13,15).
What are the key properties of 5-pyrrolidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one?
5-pyrrolidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one has a molecular weight of 267.31 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 893000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).