3-(cyclobutylmethyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one

C17H24N2O — CID 83243420

IUPAC3-(cyclobutylmethyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one
SMILESCC(C)c1ccc(C2NCC(=O)N2CC2CCC2)cc1
InChIInChI=1S/C17H24N2O/c1-12(2)14-6-8-15(9-7-14)17-18-10-16(20)19(17)11-13-4-3-5-13/h6-9,12-13,17-18H,3-5,10-11H2,1-2H3
InChIKeyCXQKSGKRPSEHJV-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.04
Rot. Bonds4

About 3-(cyclobutylmethyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one

3-(cyclobutylmethyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one (PubChem CID 83243420) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one
PubChem CID83243420
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-(cyclobutylmethyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one
SMILESCC(C)c1ccc(C2NCC(=O)N2CC2CCC2)cc1
InChIInChI=1S/C17H24N2O/c1-12(2)14-6-8-15(9-7-14)17-18-10-16(20)19(17)11-13-4-3-5-13/h6-9,12-13,17-18H,3-5,10-11H2,1-2H3
InChIKeyCXQKSGKRPSEHJV-UHFFFAOYSA-N
XLogP3.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one?
The IUPAC name of 3-(cyclobutylmethyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one (CID 83243420) is 3-(cyclobutylmethyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(cyclobutylmethyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one?
The canonical SMILES for 3-(cyclobutylmethyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one is CC(C)c1ccc(C2NCC(=O)N2CC2CCC2)cc1.
What is the InChIKey of 3-(cyclobutylmethyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one?
The InChIKey is CXQKSGKRPSEHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12(2)14-6-8-15(9-7-14)17-18-10-16(20)19(17)11-13-4-3-5-13/h6-9,12-13,17-18H,3-5,10-11H2,1-2H3.
What are the key properties of 3-(cyclobutylmethyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one?
3-(cyclobutylmethyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one has a molecular weight of 272.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83243420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).