2-(3-chlorophenyl)-3-(2-methoxy-2-methylpropyl)-5-methylimidazolidin-4-one

C15H21ClN2O2 — CID 114983383

IUPAC2-(3-chlorophenyl)-3-(2-methoxy-2-methylpropyl)-5-methylimidazolidin-4-one
SMILESCOC(C)(C)CN1C(=O)C(C)NC1c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-10-14(19)18(9-15(2,3)20-4)13(17-10)11-6-5-7-12(16)8-11/h5-8,10,13,17H,9H2,1-4H3
InChIKeyDLZDEDSEYKTIGY-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.58
Rot. Bonds4

About 2-(3-chlorophenyl)-3-(2-methoxy-2-methylpropyl)-5-methylimidazolidin-4-one

2-(3-chlorophenyl)-3-(2-methoxy-2-methylpropyl)-5-methylimidazolidin-4-one (PubChem CID 114983383) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(2-methoxy-2-methylpropyl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(2-methoxy-2-methylpropyl)-5-methylimidazolidin-4-one
PubChem CID114983383
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-(3-chlorophenyl)-3-(2-methoxy-2-methylpropyl)-5-methylimidazolidin-4-one
SMILESCOC(C)(C)CN1C(=O)C(C)NC1c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-10-14(19)18(9-15(2,3)20-4)13(17-10)11-6-5-7-12(16)8-11/h5-8,10,13,17H,9H2,1-4H3
InChIKeyDLZDEDSEYKTIGY-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-(2-methoxy-2-methylpropyl)imidazolidin-4-one
CID 114983378
2-(3-chlorophenyl)-3-(cyclohexylmethyl)-5-methylimidazolidin-4-one
CID 83248029
3-(2-ethoxy-2-methylpropyl)-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 114944884
2-(3-chlorophenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257662
2-(2,4-dimethylphenyl)-3-(2-methoxy-2-methylpropyl)-5-methylimidazolidin-4-one
CID 114983347
2-(3-chlorophenyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazolidin-4-one
CID 114983557
2-(3-chlorophenyl)-3-(4-methoxybutan-2-yl)-5-methylimidazolidin-4-one
CID 83258678
2-(3-methoxyphenyl)-5-methyl-3-(2-methylpropyl)imidazolidin-4-one
CID 83242312
2-(3-chlorophenyl)-3-ethyl-5-propylimidazolidin-4-one
CID 83240043
2-(3-fluorophenyl)-5-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83267017
2-(3-chlorophenyl)-3-(cyclopentylmethyl)-5-ethylimidazolidin-4-one
CID 83247552
2-(3-chlorophenyl)-3-(1,1-dioxothiolan-3-yl)-5-methylimidazolidin-4-one
CID 83236881

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(2-methoxy-2-methylpropyl)-5-methylimidazolidin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-3-(2-methoxy-2-methylpropyl)-5-methylimidazolidin-4-one (CID 114983383) is 2-(3-chlorophenyl)-3-(2-methoxy-2-methylpropyl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(2-methoxy-2-methylpropyl)-5-methylimidazolidin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-3-(2-methoxy-2-methylpropyl)-5-methylimidazolidin-4-one is COC(C)(C)CN1C(=O)C(C)NC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(2-methoxy-2-methylpropyl)-5-methylimidazolidin-4-one?
The InChIKey is DLZDEDSEYKTIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10-14(19)18(9-15(2,3)20-4)13(17-10)11-6-5-7-12(16)8-11/h5-8,10,13,17H,9H2,1-4H3.
What are the key properties of 2-(3-chlorophenyl)-3-(2-methoxy-2-methylpropyl)-5-methylimidazolidin-4-one?
2-(3-chlorophenyl)-3-(2-methoxy-2-methylpropyl)-5-methylimidazolidin-4-one has a molecular weight of 296.80 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(2-methoxy-2-methylpropyl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 114983383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).