2-(3-chlorophenyl)-3-(4-methoxybutan-2-yl)-5-methylimidazolidin-4-one

C15H21ClN2O2 — CID 83258678

IUPAC2-(3-chlorophenyl)-3-(4-methoxybutan-2-yl)-5-methylimidazolidin-4-one
SMILESCOCCC(C)N1C(=O)C(C)NC1c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-10(7-8-20-3)18-14(17-11(2)15(18)19)12-5-4-6-13(16)9-12/h4-6,9-11,14,17H,7-8H2,1-3H3
InChIKeyASAGAZJMUJVTNV-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.58
Rot. Bonds5

About 2-(3-chlorophenyl)-3-(4-methoxybutan-2-yl)-5-methylimidazolidin-4-one

2-(3-chlorophenyl)-3-(4-methoxybutan-2-yl)-5-methylimidazolidin-4-one (PubChem CID 83258678) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(4-methoxybutan-2-yl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(4-methoxybutan-2-yl)-5-methylimidazolidin-4-one
PubChem CID83258678
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-(3-chlorophenyl)-3-(4-methoxybutan-2-yl)-5-methylimidazolidin-4-one
SMILESCOCCC(C)N1C(=O)C(C)NC1c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-10(7-8-20-3)18-14(17-11(2)15(18)19)12-5-4-6-13(16)9-12/h4-6,9-11,14,17H,7-8H2,1-3H3
InChIKeyASAGAZJMUJVTNV-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazolidin-4-one
CID 114983557
2-(3-chlorophenyl)-5-ethyl-3-hexan-2-ylimidazolidin-4-one
CID 83252025
5-methyl-3-(4-methylpentan-2-yl)-2-(3-methylphenyl)imidazolidin-4-one
CID 83243440
2-(3-chlorophenyl)-3-(2-methoxy-2-methylpropyl)-5-methylimidazolidin-4-one
CID 114983383
3-[4-(dimethylamino)butan-2-yl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83253328
2-(3-chlorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one
CID 83246188
3-butan-2-yl-2-(4-chlorophenyl)-5-methylimidazolidin-4-one
CID 83239935
2-(3-chlorophenyl)-5-ethyl-5-methyl-3-pentan-2-ylimidazolidin-4-one
CID 83238166
2-(3-chlorophenyl)-5-ethyl-3-(3-methylpentan-2-yl)imidazolidin-4-one
CID 83247620
2-(2,4-difluorophenyl)-3-(1-methoxypropan-2-yl)-5-methylimidazolidin-4-one
CID 83239897
2-(2-fluorophenyl)-3-(1-methoxypropan-2-yl)-5-methylimidazolidin-4-one
CID 83239294
2-(3-chlorophenyl)-3-(cyclohexylmethyl)-5-methylimidazolidin-4-one
CID 83248029

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(4-methoxybutan-2-yl)-5-methylimidazolidin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-3-(4-methoxybutan-2-yl)-5-methylimidazolidin-4-one (CID 83258678) is 2-(3-chlorophenyl)-3-(4-methoxybutan-2-yl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(4-methoxybutan-2-yl)-5-methylimidazolidin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-3-(4-methoxybutan-2-yl)-5-methylimidazolidin-4-one is COCCC(C)N1C(=O)C(C)NC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(4-methoxybutan-2-yl)-5-methylimidazolidin-4-one?
The InChIKey is ASAGAZJMUJVTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10(7-8-20-3)18-14(17-11(2)15(18)19)12-5-4-6-13(16)9-12/h4-6,9-11,14,17H,7-8H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-3-(4-methoxybutan-2-yl)-5-methylimidazolidin-4-one?
2-(3-chlorophenyl)-3-(4-methoxybutan-2-yl)-5-methylimidazolidin-4-one has a molecular weight of 296.80 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(4-methoxybutan-2-yl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83258678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).