3-(cyclobutylmethyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one

C17H24N2O — CID 83243422

IUPAC3-(cyclobutylmethyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one
SMILESCc1ccc(C2NC(C)C(=O)N2CC2CCC2)c(C)c1
InChIInChI=1S/C17H24N2O/c1-11-7-8-15(12(2)9-11)16-18-13(3)17(20)19(16)10-14-5-4-6-14/h7-9,13-14,16,18H,4-6,10H2,1-3H3
InChIKeyKCWVTVMSLXWNOV-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.92
Rot. Bonds3

About 3-(cyclobutylmethyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one

3-(cyclobutylmethyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one (PubChem CID 83243422) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one
PubChem CID83243422
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-(cyclobutylmethyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one
SMILESCc1ccc(C2NC(C)C(=O)N2CC2CCC2)c(C)c1
InChIInChI=1S/C17H24N2O/c1-11-7-8-15(12(2)9-11)16-18-13(3)17(20)19(16)10-14-5-4-6-14/h7-9,13-14,16,18H,4-6,10H2,1-3H3
InChIKeyKCWVTVMSLXWNOV-UHFFFAOYSA-N
XLogP2.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one?
The IUPAC name of 3-(cyclobutylmethyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one (CID 83243422) is 3-(cyclobutylmethyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-(cyclobutylmethyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one?
The canonical SMILES for 3-(cyclobutylmethyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one is Cc1ccc(C2NC(C)C(=O)N2CC2CCC2)c(C)c1.
What is the InChIKey of 3-(cyclobutylmethyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one?
The InChIKey is KCWVTVMSLXWNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-11-7-8-15(12(2)9-11)16-18-13(3)17(20)19(16)10-14-5-4-6-14/h7-9,13-14,16,18H,4-6,10H2,1-3H3.
What are the key properties of 3-(cyclobutylmethyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one?
3-(cyclobutylmethyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one has a molecular weight of 272.39 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83243422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).