(5S)-5-[(2S)-butan-2-yl]-1-[2-(3-chlorophenyl)-2-oxoethyl]imidazolidin-2-one

C15H19ClN2O2 — CID 151655792

IUPAC(5S)-5-[(2S)-butan-2-yl]-1-[2-(3-chlorophenyl)-2-oxoethyl]imidazolidin-2-one
SMILESCC[C@H](C)[C@H]1CNC(=O)N1CC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O2/c1-3-10(2)13-8-17-15(20)18(13)9-14(19)11-5-4-6-12(16)7-11/h4-7,10,13H,3,8-9H2,1-2H3,(H,17,20)/t10-,13+/m0/s1
InChIKeyQVLVCTBJPHKNCK-GXFFZTMASA-N
MW294.78 g/mol
LogP2.96
Rot. Bonds5

About (5S)-5-[(2S)-butan-2-yl]-1-[2-(3-chlorophenyl)-2-oxoethyl]imidazolidin-2-one

(5S)-5-[(2S)-butan-2-yl]-1-[2-(3-chlorophenyl)-2-oxoethyl]imidazolidin-2-one (PubChem CID 151655792) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is (5S)-5-[(2S)-butan-2-yl]-1-[2-(3-chlorophenyl)-2-oxoethyl]imidazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(2S)-butan-2-yl]-1-[2-(3-chlorophenyl)-2-oxoethyl]imidazolidin-2-one
PubChem CID151655792
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name(5S)-5-[(2S)-butan-2-yl]-1-[2-(3-chlorophenyl)-2-oxoethyl]imidazolidin-2-one
SMILESCC[C@H](C)[C@H]1CNC(=O)N1CC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O2/c1-3-10(2)13-8-17-15(20)18(13)9-14(19)11-5-4-6-12(16)7-11/h4-7,10,13H,3,8-9H2,1-2H3,(H,17,20)/t10-,13+/m0/s1
InChIKeyQVLVCTBJPHKNCK-GXFFZTMASA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5S)-5-[(2S)-butan-2-yl]-1-[2-(3-chlorophenyl)-2-oxoethyl]imidazolidin-2-one with MolForge

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Related Compounds

1-[2-(3-chlorophenyl)-2-oxoethyl]-3-ethylimidazol-2-one
CID 80580912
3-[2-(3-chlorophenyl)-2-oxoethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835871
1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone
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1-(3-chlorophenyl)-2-(2-methylbutylsulfanyl)ethanone
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1-[2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
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1-(3-chlorophenyl)-2-propan-2-yloxyethanone
CID 43798807
2-[2-(3-chlorophenyl)-2-oxoethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513676
1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanone
CID 43796611
1-(3-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
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2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(3-chlorophenyl)ethanone
CID 115560604
1-[2-(3-chlorophenyl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione
CID 60623692
2-butan-2-yl-1-[(3-chlorophenyl)methyl]-5-ethylpiperazine
CID 64842906

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2S)-butan-2-yl]-1-[2-(3-chlorophenyl)-2-oxoethyl]imidazolidin-2-one?
The IUPAC name of (5S)-5-[(2S)-butan-2-yl]-1-[2-(3-chlorophenyl)-2-oxoethyl]imidazolidin-2-one (CID 151655792) is (5S)-5-[(2S)-butan-2-yl]-1-[2-(3-chlorophenyl)-2-oxoethyl]imidazolidin-2-one.
What is the SMILES notation for (5S)-5-[(2S)-butan-2-yl]-1-[2-(3-chlorophenyl)-2-oxoethyl]imidazolidin-2-one?
The canonical SMILES for (5S)-5-[(2S)-butan-2-yl]-1-[2-(3-chlorophenyl)-2-oxoethyl]imidazolidin-2-one is CC[C@H](C)[C@H]1CNC(=O)N1CC(=O)c1cccc(Cl)c1.
What is the InChIKey of (5S)-5-[(2S)-butan-2-yl]-1-[2-(3-chlorophenyl)-2-oxoethyl]imidazolidin-2-one?
The InChIKey is QVLVCTBJPHKNCK-GXFFZTMASA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-3-10(2)13-8-17-15(20)18(13)9-14(19)11-5-4-6-12(16)7-11/h4-7,10,13H,3,8-9H2,1-2H3,(H,17,20)/t10-,13+/m0/s1.
What are the key properties of (5S)-5-[(2S)-butan-2-yl]-1-[2-(3-chlorophenyl)-2-oxoethyl]imidazolidin-2-one?
(5S)-5-[(2S)-butan-2-yl]-1-[2-(3-chlorophenyl)-2-oxoethyl]imidazolidin-2-one has a molecular weight of 294.78 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2S)-butan-2-yl]-1-[2-(3-chlorophenyl)-2-oxoethyl]imidazolidin-2-one is sourced from PubChem (CID 151655792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).