[1-[2-(benzimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide

C14H18N4O3S — CID 168682038

IUPAC[1-[2-(benzimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(CCn2cnc3ccccc32)C1
InChIInChI=1S/C14H18N4O3S/c15-22(20,21)9-11-7-14(19)17(8-11)5-6-18-10-16-12-3-1-2-4-13(12)18/h1-4,10-11H,5-9H2,(H2,15,20,21)
InChIKeySGUSUARWHLIJEM-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.17
Rot. Bonds5

About [1-[2-(benzimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-[2-(benzimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168682038) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is [1-[2-(benzimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[2-(benzimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168682038
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name[1-[2-(benzimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(CCn2cnc3ccccc32)C1
InChIInChI=1S/C14H18N4O3S/c15-22(20,21)9-11-7-14(19)17(8-11)5-6-18-10-16-12-3-1-2-4-13(12)18/h1-4,10-11H,5-9H2,(H2,15,20,21)
InChIKeySGUSUARWHLIJEM-UHFFFAOYSA-N
XLogP0.17
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2-(benzimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676551
[1-(2-isoquinolin-1-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682033
N-[3-(benzimidazol-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51273849
[1-[2-(1,3-oxazol-4-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682022
[1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681907
(5-oxo-1-quinolin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683221
[1-[(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681781
[1-[2-(4-tert-butylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680607
1-[2-(3-pyridin-2-ylazetidin-1-yl)ethyl]benzimidazole
CID 118763615
[1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681092
[1-[2-(1H-indazol-4-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682006
[5-oxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682163

Frequently Asked Questions

What is the IUPAC name of [1-[2-(benzimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-[2-(benzimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168682038) is [1-[2-(benzimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-[2-(benzimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-[2-(benzimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(CCn2cnc3ccccc32)C1.
What is the InChIKey of [1-[2-(benzimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is SGUSUARWHLIJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c15-22(20,21)9-11-7-14(19)17(8-11)5-6-18-10-16-12-3-1-2-4-13(12)18/h1-4,10-11H,5-9H2,(H2,15,20,21).
What are the key properties of [1-[2-(benzimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-[2-(benzimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 322.39 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(benzimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168682038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).