2-(4-chlorophenyl)-3-(cyclobutylmethyl)-5-propan-2-ylimidazolidin-4-one

C17H23ClN2O — CID 83247048

IUPAC2-(4-chlorophenyl)-3-(cyclobutylmethyl)-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NC(c2ccc(Cl)cc2)N(CC2CCC2)C1=O
InChIInChI=1S/C17H23ClN2O/c1-11(2)15-17(21)20(10-12-4-3-5-12)16(19-15)13-6-8-14(18)9-7-13/h6-9,11-12,15-16,19H,3-5,10H2,1-2H3
InChIKeyXQUXBPUXKLLYQY-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.60
Rot. Bonds4

About 2-(4-chlorophenyl)-3-(cyclobutylmethyl)-5-propan-2-ylimidazolidin-4-one

2-(4-chlorophenyl)-3-(cyclobutylmethyl)-5-propan-2-ylimidazolidin-4-one (PubChem CID 83247048) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(cyclobutylmethyl)-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(cyclobutylmethyl)-5-propan-2-ylimidazolidin-4-one
PubChem CID83247048
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name2-(4-chlorophenyl)-3-(cyclobutylmethyl)-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NC(c2ccc(Cl)cc2)N(CC2CCC2)C1=O
InChIInChI=1S/C17H23ClN2O/c1-11(2)15-17(21)20(10-12-4-3-5-12)16(19-15)13-6-8-14(18)9-7-13/h6-9,11-12,15-16,19H,3-5,10H2,1-2H3
InChIKeyXQUXBPUXKLLYQY-UHFFFAOYSA-N
XLogP3.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclobutylmethyl)-2-phenyl-5-propan-2-ylimidazolidin-4-one
CID 83244568
2-(4-chlorophenyl)-3-(cyclopentylmethyl)-5-methylimidazolidin-4-one
CID 83244083
2-(4-chlorophenyl)-3-(2-methoxyethyl)-5-propan-2-ylimidazolidin-4-one
CID 83242547
2-(4-chlorophenyl)-3-(cyclopropylmethyl)-5-ethylimidazolidin-4-one
CID 83251669
3-(cyclopentylmethyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83247562
3-(cyclobutylmethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83243656
2-(4-chlorophenyl)-3-(cyclopentylmethyl)imidazolidin-4-one
CID 83243667
3-(cyclopentylmethyl)-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83243594
5-butan-2-yl-2-(4-chlorophenyl)-3-propylimidazolidin-4-one
CID 83242766
3-(cyclohexylmethyl)-2-cyclopentyl-5-propan-2-ylimidazolidin-4-one
CID 83247815
2-(4-chlorophenyl)-3-(cyclopropylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 79827705
2-(4-chlorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83266975

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(cyclobutylmethyl)-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-(cyclobutylmethyl)-5-propan-2-ylimidazolidin-4-one (CID 83247048) is 2-(4-chlorophenyl)-3-(cyclobutylmethyl)-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(cyclobutylmethyl)-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-(cyclobutylmethyl)-5-propan-2-ylimidazolidin-4-one is CC(C)C1NC(c2ccc(Cl)cc2)N(CC2CCC2)C1=O.
What is the InChIKey of 2-(4-chlorophenyl)-3-(cyclobutylmethyl)-5-propan-2-ylimidazolidin-4-one?
The InChIKey is XQUXBPUXKLLYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-11(2)15-17(21)20(10-12-4-3-5-12)16(19-15)13-6-8-14(18)9-7-13/h6-9,11-12,15-16,19H,3-5,10H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-3-(cyclobutylmethyl)-5-propan-2-ylimidazolidin-4-one?
2-(4-chlorophenyl)-3-(cyclobutylmethyl)-5-propan-2-ylimidazolidin-4-one has a molecular weight of 306.84 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(cyclobutylmethyl)-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83247048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).