1-(4-chlorophenyl)-3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylpyrrolidin-2-one

C15H16ClN3O2S — CID 111537006

IUPAC1-(4-chlorophenyl)-3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylpyrrolidin-2-one
SMILESCn1c(CO)cnc1SC1CCN(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C15H16ClN3O2S/c1-18-12(9-20)8-17-15(18)22-13-6-7-19(14(13)21)11-4-2-10(16)3-5-11/h2-5,8,13,20H,6-7,9H2,1H3
InChIKeySZZZZTUMAROPKB-UHFFFAOYSA-N
MW337.83 g/mol
LogP2.46
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylpyrrolidin-2-one

1-(4-chlorophenyl)-3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylpyrrolidin-2-one (PubChem CID 111537006) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylpyrrolidin-2-one
PubChem CID111537006
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name1-(4-chlorophenyl)-3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylpyrrolidin-2-one
SMILESCn1c(CO)cnc1SC1CCN(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C15H16ClN3O2S/c1-18-12(9-20)8-17-15(18)22-13-6-7-19(14(13)21)11-4-2-10(16)3-5-11/h2-5,8,13,20H,6-7,9H2,1H3
InChIKeySZZZZTUMAROPKB-UHFFFAOYSA-N
XLogP2.46
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(4-chlorophenyl)-3-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrrolidin-2-one
CID 95633107
3-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 71999633
(3R)-3-amino-1-(4-chlorophenyl)pyrrolidin-2-one
CID 58714338
(3S)-3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 124571290
1-(4-chlorophenyl)-N,N-diethyl-2-oxopyrrolidine-3-carboxamide
CID 20964248
(3S)-1-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 92750593
5-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119137618
1-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 46347377
(2-chloro-3-methylimidazol-4-yl)methanol
CID 59589424
(3R)-3-[(2R)-3-hydroxy-2-methylpropyl]sulfanyl-1-(4-methylphenyl)pyrrolidin-2-one
CID 95968638
4-[(3S)-2-oxo-3-pyrimidin-2-ylsulfanylpyrrolidin-1-yl]benzonitrile
CID 124624544
(3S)-4-acetyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 93288984

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylpyrrolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylpyrrolidin-2-one (CID 111537006) is 1-(4-chlorophenyl)-3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylpyrrolidin-2-one is Cn1c(CO)cnc1SC1CCN(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 1-(4-chlorophenyl)-3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylpyrrolidin-2-one?
The InChIKey is SZZZZTUMAROPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c1-18-12(9-20)8-17-15(18)22-13-6-7-19(14(13)21)11-4-2-10(16)3-5-11/h2-5,8,13,20H,6-7,9H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylpyrrolidin-2-one?
1-(4-chlorophenyl)-3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylpyrrolidin-2-one has a molecular weight of 337.83 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylpyrrolidin-2-one is sourced from PubChem (CID 111537006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).