(2R)-5-oxo-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide

C12H12N4O2S — CID 99637421

IUPAC(2R)-5-oxo-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)Nc2ccc3[nH]c(=S)[nH]c3c2)N1
InChIInChI=1S/C12H12N4O2S/c17-10-4-3-8(14-10)11(18)13-6-1-2-7-9(5-6)16-12(19)15-7/h1-2,5,8H,3-4H2,(H,13,18)(H,14,17)(H2,15,16,19)/t8-/m1/s1
InChIKeyYNQNMIXQCACEGH-MRVPVSSYSA-N
MW276.32 g/mol
LogP1.44
Rot. Bonds2

About (2R)-5-oxo-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide

(2R)-5-oxo-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 99637421) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is (2R)-5-oxo-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-5-oxo-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
PubChem CID99637421
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name(2R)-5-oxo-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)Nc2ccc3[nH]c(=S)[nH]c3c2)N1
InChIInChI=1S/C12H12N4O2S/c17-10-4-3-8(14-10)11(18)13-6-1-2-7-9(5-6)16-12(19)15-7/h1-2,5,8H,3-4H2,(H,13,18)(H,14,17)(H2,15,16,19)/t8-/m1/s1
InChIKeyYNQNMIXQCACEGH-MRVPVSSYSA-N
XLogP1.44
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (2R)-5-oxo-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide 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

(3S)-6-oxo-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)piperidine-3-carboxamide
CID 99591065
N-(1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide
CID 110744978
N-(3,4-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110689759
N-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 64787520
N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110482254
N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 103824877
(2R)-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 103824880
(2S)-N-(3-bromo-4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 675422
5-oxo-N-(2-phenyl-3H-benzimidazol-5-yl)pyrrolidine-2-carboxamide
CID 110796357
(2S)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolidine-2-carboxamide
CID 103806993
N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792509
(2S)-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 26469933

Frequently Asked Questions

What is the IUPAC name of (2R)-5-oxo-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-5-oxo-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide (CID 99637421) is (2R)-5-oxo-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-5-oxo-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-5-oxo-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide is O=C1CC[C@H](C(=O)Nc2ccc3[nH]c(=S)[nH]c3c2)N1.
What is the InChIKey of (2R)-5-oxo-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is YNQNMIXQCACEGH-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c17-10-4-3-8(14-10)11(18)13-6-1-2-7-9(5-6)16-12(19)15-7/h1-2,5,8H,3-4H2,(H,13,18)(H,14,17)(H2,15,16,19)/t8-/m1/s1.
What are the key properties of (2R)-5-oxo-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide?
(2R)-5-oxo-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 1.44, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-oxo-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 99637421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).