2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C18H19N5O2S2 — CID 648058

IUPAC2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc2ccccc2n1CC(=O)N1CCCC1)Nc1nccs1
InChIInChI=1S/C18H19N5O2S2/c24-15(21-17-19-7-10-26-17)12-27-18-20-13-5-1-2-6-14(13)23(18)11-16(25)22-8-3-4-9-22/h1-2,5-7,10H,3-4,8-9,11-12H2,(H,19,21,24)
InChIKeySAHHMHLXOIPTIJ-UHFFFAOYSA-N
MW401.52 g/mol
LogP2.85
Rot. Bonds6

About 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 648058) has the molecular formula C18H19N5O2S2 and a molecular weight of 401.52 g/mol. Its IUPAC name is 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID648058
Molecular FormulaC18H19N5O2S2
Molecular Weight401.52 g/mol
Exact Mass401.10
IUPAC Name2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc2ccccc2n1CC(=O)N1CCCC1)Nc1nccs1
InChIInChI=1S/C18H19N5O2S2/c24-15(21-17-19-7-10-26-17)12-27-18-20-13-5-1-2-6-14(13)23(18)11-16(25)22-8-3-4-9-22/h1-2,5-7,10H,3-4,8-9,11-12H2,(H,19,21,24)
InChIKeySAHHMHLXOIPTIJ-UHFFFAOYSA-N
XLogP2.85
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-Bromophenyl)-2-[2-(1,3-Thiazol-2-Yl)-1h-Benzimidazol-1-Yl]acetamide
CID 44602364
(S)-1-(2-(1H-benzo[d]imidazol-2-ylthio)acetyl)-N-(2-(1H-pyrrol-1-yl)phenyl)pyrrolidine-2-carboxamide
CID 15949610
(2S)-1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 44454946
N-(4-Chlorophenyl)-2-[2-(1,3-thiazol-5-yl)-1H-benzimidazol-1-yl]acetamide
CID 612046
N-(4-{[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)acetamide
CID 1117212
N-(1,3-Benzothiazol-2-YL)-2-({1-[(4-methylphenyl)methyl]-1H-imidazol-2-YL}sulfanyl)acetamide
CID 7151039
2-(1-methylimidazol-2-yl)sulfanyl-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)acetamide
CID 4262516
N-Phenethyl-2-(2-thiazol-5-yl-benzoimidazol-1-yl)-acetamide
CID 611858
N-(5-Cyclobutyl-thiazol-2-yl)-2-(5,6-dimethyl-benzoimidazol-1-yl)-acetamide
CID 10291035
N-(1H-benzo[d]imidazol-2-yl)thiazol-2-amine
CID 11586565
N-(4-fluorophenyl)-2-(2-thiazol-4-ylbenzimidazol-1-yl)acetamide
CID 24513606
N-(4-methylsulfanylphenyl)-2-(2-thiazol-4-ylbenzimidazol-1-yl)acetamide
CID 24517453

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 648058) is 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1nc2ccccc2n1CC(=O)N1CCCC1)Nc1nccs1.
What is the InChIKey of 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is SAHHMHLXOIPTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S2/c24-15(21-17-19-7-10-26-17)12-27-18-20-13-5-1-2-6-14(13)23(18)11-16(25)22-8-3-4-9-22/h1-2,5-7,10H,3-4,8-9,11-12H2,(H,19,21,24).
What are the key properties of 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 401.52 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 648058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).