1-[2-(1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide

C13H16N4O3S — CID 168718272

IUPAC1-[2-(1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(CCc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C13H16N4O3S/c14-21(19,20)9-7-13(18)17(8-9)6-5-12-15-10-3-1-2-4-11(10)16-12/h1-4,9H,5-8H2,(H,15,16)(H2,14,19,20)
InChIKeyJLWGCDWRZVWDBU-UHFFFAOYSA-N
MW308.36 g/mol
LogP-0.01
Rot. Bonds4

About 1-[2-(1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide

1-[2-(1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168718272) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-[2-(1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[2-(1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168718272
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name1-[2-(1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(CCc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C13H16N4O3S/c14-21(19,20)9-7-13(18)17(8-9)6-5-12-15-10-3-1-2-4-11(10)16-12/h1-4,9H,5-8H2,(H,15,16)(H2,14,19,20)
InChIKeyJLWGCDWRZVWDBU-UHFFFAOYSA-N
XLogP-0.01
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1H-benzimidazol-2-yl)ethyl]-4-chloropyrrolidin-2-one
CID 168688678
1-[2-(1H-benzimidazol-2-yl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168709436
1-[2-(1H-benzimidazol-2-yl)ethyl]-4-ethenylpyrrolidin-2-one
CID 168685350
1-[2-(1H-benzimidazol-2-yl)ethyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663130
1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidine-3-sulfonamide
CID 154738785
4-(1H-benzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one
CID 6460887
4-(1H-benzimidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 45231611
5-oxo-1-(2-pyrrol-1-ylethyl)pyrrolidine-3-sulfonamide
CID 168718283
5-oxo-1-(quinolin-3-ylmethyl)pyrrolidine-3-sulfonamide
CID 168718375
5-oxo-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-3-sulfonamide
CID 168718383
1-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718162
5-oxo-1-(2-quinoxalin-2-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168714947

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[2-(1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide (CID 168718272) is 1-[2-(1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[2-(1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[2-(1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(CCc2nc3ccccc3[nH]2)C1.
What is the InChIKey of 1-[2-(1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is JLWGCDWRZVWDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c14-21(19,20)9-7-13(18)17(8-9)6-5-12-15-10-3-1-2-4-11(10)16-12/h1-4,9H,5-8H2,(H,15,16)(H2,14,19,20).
What are the key properties of 1-[2-(1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide?
1-[2-(1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 308.36 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).