1-(4-methylphenyl)-2-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]sulfanyl-4H-imidazol-5-one

C22H23N3O2S — CID 8638042

IUPAC1-(4-methylphenyl)-2-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]sulfanyl-4H-imidazol-5-one
SMILESCc1ccc(N2C(=O)CN=C2S[C@H](C(=O)N2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C22H23N3O2S/c1-16-9-11-18(12-10-16)25-19(26)15-23-22(25)28-20(17-7-3-2-4-8-17)21(27)24-13-5-6-14-24/h2-4,7-12,20H,5-6,13-15H2,1H3/t20-/m0/s1
InChIKeyYRYZCJQWHQQQCA-FQEVSTJZSA-N
MW393.51 g/mol
LogP3.79
Rot. Bonds4

About 1-(4-methylphenyl)-2-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]sulfanyl-4H-imidazol-5-one

1-(4-methylphenyl)-2-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]sulfanyl-4H-imidazol-5-one (PubChem CID 8638042) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]sulfanyl-4H-imidazol-5-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]sulfanyl-4H-imidazol-5-one
PubChem CID8638042
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name1-(4-methylphenyl)-2-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]sulfanyl-4H-imidazol-5-one
SMILESCc1ccc(N2C(=O)CN=C2S[C@H](C(=O)N2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C22H23N3O2S/c1-16-9-11-18(12-10-16)25-19(26)15-23-22(25)28-20(17-7-3-2-4-8-17)21(27)24-13-5-6-14-24/h2-4,7-12,20H,5-6,13-15H2,1H3/t20-/m0/s1
InChIKeyYRYZCJQWHQQQCA-FQEVSTJZSA-N
XLogP3.79
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylphenyl)-2-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]sulfanyl-4H-imidazol-5-one with MolForge

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Related Compounds

N'-[(2S)-2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]propanoyl]benzohydrazide
CID 9059948
1-(4-methylphenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4H-imidazol-5-one
CID 8562674
(2R)-2-phenyl-1-piperidin-1-yl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone
CID 93011629
(3R)-1-[2-[[1-(4-methylphenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-3-carboxamide
CID 8562723
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-phenyl-1-piperidin-1-ylethanone
CID 60601392
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 78811996
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenyl-2-phenylsulfanylethanone
CID 75864681
(2R)-2-[[4-(4-fluorophenyl)-5-[(1S)-1-piperidin-1-ylethyl]-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 25398594
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 25379764
(2S)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-2-phenylethanone
CID 40657342
2-methylsulfanyl-1-phenyl-4H-imidazol-5-one iodide
CID 21176733
(2R)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone
CID 25334103

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]sulfanyl-4H-imidazol-5-one?
The IUPAC name of 1-(4-methylphenyl)-2-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]sulfanyl-4H-imidazol-5-one (CID 8638042) is 1-(4-methylphenyl)-2-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]sulfanyl-4H-imidazol-5-one.
What is the SMILES notation for 1-(4-methylphenyl)-2-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]sulfanyl-4H-imidazol-5-one?
The canonical SMILES for 1-(4-methylphenyl)-2-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]sulfanyl-4H-imidazol-5-one is Cc1ccc(N2C(=O)CN=C2S[C@H](C(=O)N2CCCC2)c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]sulfanyl-4H-imidazol-5-one?
The InChIKey is YRYZCJQWHQQQCA-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-16-9-11-18(12-10-16)25-19(26)15-23-22(25)28-20(17-7-3-2-4-8-17)21(27)24-13-5-6-14-24/h2-4,7-12,20H,5-6,13-15H2,1H3/t20-/m0/s1.
What are the key properties of 1-(4-methylphenyl)-2-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]sulfanyl-4H-imidazol-5-one?
1-(4-methylphenyl)-2-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]sulfanyl-4H-imidazol-5-one has a molecular weight of 393.51 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]sulfanyl-4H-imidazol-5-one is sourced from PubChem (CID 8638042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).