3-(cyclobutylmethyl)-5-methyl-2-(3-methylphenyl)imidazolidin-4-one

C16H22N2O — CID 83244061

IUPAC3-(cyclobutylmethyl)-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
SMILESCc1cccc(C2NC(C)C(=O)N2CC2CCC2)c1
InChIInChI=1S/C16H22N2O/c1-11-5-3-8-14(9-11)15-17-12(2)16(19)18(15)10-13-6-4-7-13/h3,5,8-9,12-13,15,17H,4,6-7,10H2,1-2H3
InChIKeyFZDDJEHHLZAQBE-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.61
Rot. Bonds3

About 3-(cyclobutylmethyl)-5-methyl-2-(3-methylphenyl)imidazolidin-4-one

3-(cyclobutylmethyl)-5-methyl-2-(3-methylphenyl)imidazolidin-4-one (PubChem CID 83244061) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-5-methyl-2-(3-methylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
PubChem CID83244061
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name3-(cyclobutylmethyl)-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
SMILESCc1cccc(C2NC(C)C(=O)N2CC2CCC2)c1
InChIInChI=1S/C16H22N2O/c1-11-5-3-8-14(9-11)15-17-12(2)16(19)18(15)10-13-6-4-7-13/h3,5,8-9,12-13,15,17H,4,6-7,10H2,1-2H3
InChIKeyFZDDJEHHLZAQBE-UHFFFAOYSA-N
XLogP2.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-3-(cyclohexylmethyl)-5-methylimidazolidin-4-one
CID 83248029
3-(cyclobutylmethyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one
CID 83243422
3-(cyclopentylmethyl)-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83243594
3-(cyclohexylmethyl)-5-methyl-2-phenylimidazolidin-4-one
CID 83243599
3-[2-(dimethylamino)ethyl]-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83250661
3-hexyl-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83262813
3-[2-(dimethylamino)propyl]-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83249776
3,5-dimethyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83259972
2-(4-chlorophenyl)-3-(cyclopentylmethyl)-5-methylimidazolidin-4-one
CID 83244083
3-(4-hydroxycyclohexyl)-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83238574
2-(3-chlorophenyl)-3-(cyclopentylmethyl)-5-ethylimidazolidin-4-one
CID 83247552
2-(4-tert-butylphenyl)-3-(cyclopropylmethyl)-5-methylimidazolidin-4-one
CID 83247502

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)-5-methyl-2-(3-methylphenyl)imidazolidin-4-one?
The IUPAC name of 3-(cyclobutylmethyl)-5-methyl-2-(3-methylphenyl)imidazolidin-4-one (CID 83244061) is 3-(cyclobutylmethyl)-5-methyl-2-(3-methylphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(cyclobutylmethyl)-5-methyl-2-(3-methylphenyl)imidazolidin-4-one?
The canonical SMILES for 3-(cyclobutylmethyl)-5-methyl-2-(3-methylphenyl)imidazolidin-4-one is Cc1cccc(C2NC(C)C(=O)N2CC2CCC2)c1.
What is the InChIKey of 3-(cyclobutylmethyl)-5-methyl-2-(3-methylphenyl)imidazolidin-4-one?
The InChIKey is FZDDJEHHLZAQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-5-3-8-14(9-11)15-17-12(2)16(19)18(15)10-13-6-4-7-13/h3,5,8-9,12-13,15,17H,4,6-7,10H2,1-2H3.
What are the key properties of 3-(cyclobutylmethyl)-5-methyl-2-(3-methylphenyl)imidazolidin-4-one?
3-(cyclobutylmethyl)-5-methyl-2-(3-methylphenyl)imidazolidin-4-one has a molecular weight of 258.37 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-5-methyl-2-(3-methylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83244061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).