2-(3-chlorophenyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazolidin-4-one

C16H23ClN2O — CID 114983557

IUPAC2-(3-chlorophenyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazolidin-4-one
SMILESCC1NC(c2cccc(Cl)c2)N(C(C)C(C)(C)C)C1=O
InChIInChI=1S/C16H23ClN2O/c1-10-15(20)19(11(2)16(3,4)5)14(18-10)12-7-6-8-13(17)9-12/h6-11,14,18H,1-5H3
InChIKeyMJDGGXRZCIKVQU-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.59
Rot. Bonds2

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

2-(3-chlorophenyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazolidin-4-one (PubChem CID 114983557) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazolidin-4-one
PubChem CID114983557
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-(3-chlorophenyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazolidin-4-one
SMILESCC1NC(c2cccc(Cl)c2)N(C(C)C(C)(C)C)C1=O
InChIInChI=1S/C16H23ClN2O/c1-10-15(20)19(11(2)16(3,4)5)14(18-10)12-7-6-8-13(17)9-12/h6-11,14,18H,1-5H3
InChIKeyMJDGGXRZCIKVQU-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-3-(4-methoxybutan-2-yl)-5-methylimidazolidin-4-one
CID 83258678
2-(3-chlorophenyl)-3-(2-methoxy-2-methylpropyl)-5-methylimidazolidin-4-one
CID 114983383
3-(3,3-dimethylbutan-2-yl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one
CID 114983547
2-(3-chlorophenyl)-3-pentan-3-yl-5-propan-2-ylimidazolidin-4-one
CID 83246188
2-(3-chlorophenyl)-3-(cyclohexylmethyl)-5-methylimidazolidin-4-one
CID 83248029
2-(3-chlorophenyl)-5-ethyl-3-(3-methylpentan-2-yl)imidazolidin-4-one
CID 83247620
2-(3-chlorophenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257662
5-methyl-3-(4-methylpentan-2-yl)-2-(3-methylphenyl)imidazolidin-4-one
CID 83243440
2-(3-chlorophenyl)-3-(1,1-dioxothiolan-3-yl)-5-methylimidazolidin-4-one
CID 83236881
2-(3-chlorophenyl)-5-ethyl-3-hexan-2-ylimidazolidin-4-one
CID 83252025
3-butan-2-yl-2-(4-chlorophenyl)-5-methylimidazolidin-4-one
CID 83239935
5-methyl-2-(3-methylphenyl)-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83244992

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazolidin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazolidin-4-one (CID 114983557) is 2-(3-chlorophenyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazolidin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazolidin-4-one is CC1NC(c2cccc(Cl)c2)N(C(C)C(C)(C)C)C1=O.
What is the InChIKey of 2-(3-chlorophenyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazolidin-4-one?
The InChIKey is MJDGGXRZCIKVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-10-15(20)19(11(2)16(3,4)5)14(18-10)12-7-6-8-13(17)9-12/h6-11,14,18H,1-5H3.
What are the key properties of 2-(3-chlorophenyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazolidin-4-one?
2-(3-chlorophenyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazolidin-4-one has a molecular weight of 294.83 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 114983557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).