5-butyl-3-(cyclopropylmethyl)-2-(4-methylphenyl)imidazolidin-4-one

C18H26N2O — CID 83247509

IUPAC5-butyl-3-(cyclopropylmethyl)-2-(4-methylphenyl)imidazolidin-4-one
SMILESCCCCC1NC(c2ccc(C)cc2)N(CC2CC2)C1=O
InChIInChI=1S/C18H26N2O/c1-3-4-5-16-18(21)20(12-14-8-9-14)17(19-16)15-10-6-13(2)7-11-15/h6-7,10-11,14,16-17,19H,3-5,8-9,12H2,1-2H3
InChIKeyBQNUPQKKAQQNAX-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.39
Rot. Bonds6

About 5-butyl-3-(cyclopropylmethyl)-2-(4-methylphenyl)imidazolidin-4-one

5-butyl-3-(cyclopropylmethyl)-2-(4-methylphenyl)imidazolidin-4-one (PubChem CID 83247509) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 5-butyl-3-(cyclopropylmethyl)-2-(4-methylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-(cyclopropylmethyl)-2-(4-methylphenyl)imidazolidin-4-one
PubChem CID83247509
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name5-butyl-3-(cyclopropylmethyl)-2-(4-methylphenyl)imidazolidin-4-one
SMILESCCCCC1NC(c2ccc(C)cc2)N(CC2CC2)C1=O
InChIInChI=1S/C18H26N2O/c1-3-4-5-16-18(21)20(12-14-8-9-14)17(19-16)15-10-6-13(2)7-11-15/h6-7,10-11,14,16-17,19H,3-5,8-9,12H2,1-2H3
InChIKeyBQNUPQKKAQQNAX-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopropylmethyl)-2-(4-methoxyphenyl)-5-propylimidazolidin-4-one
CID 83247730
5-butyl-3-(cyclopropylmethyl)-2-methylimidazolidin-4-one
CID 83250992
2-(4-chlorophenyl)-3-(cyclopropylmethyl)-5-ethylimidazolidin-4-one
CID 83251669
3-(cyclopentylmethyl)-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83243594
3,5-dibutyl-2-phenylimidazolidin-4-one
CID 83237789
5-butyl-3-ethyl-2-(4-methoxyphenyl)imidazolidin-4-one
CID 83239253
3-(cyclopropylmethyl)-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83247775
3-(cyclobutylmethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83243416
5-butyl-3-(2,2-dimethylpropyl)-2-phenylimidazolidin-4-one
CID 83246817
5-methyl-2-(4-methylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one
CID 83254637
5-butyl-3-(2,2-difluoroethyl)-2-phenylimidazolidin-4-one
CID 83270970
5-butyl-3-cyclopropyl-2-(4-ethylphenyl)imidazolidin-4-one
CID 83244903

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(cyclopropylmethyl)-2-(4-methylphenyl)imidazolidin-4-one?
The IUPAC name of 5-butyl-3-(cyclopropylmethyl)-2-(4-methylphenyl)imidazolidin-4-one (CID 83247509) is 5-butyl-3-(cyclopropylmethyl)-2-(4-methylphenyl)imidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-(cyclopropylmethyl)-2-(4-methylphenyl)imidazolidin-4-one?
The canonical SMILES for 5-butyl-3-(cyclopropylmethyl)-2-(4-methylphenyl)imidazolidin-4-one is CCCCC1NC(c2ccc(C)cc2)N(CC2CC2)C1=O.
What is the InChIKey of 5-butyl-3-(cyclopropylmethyl)-2-(4-methylphenyl)imidazolidin-4-one?
The InChIKey is BQNUPQKKAQQNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-4-5-16-18(21)20(12-14-8-9-14)17(19-16)15-10-6-13(2)7-11-15/h6-7,10-11,14,16-17,19H,3-5,8-9,12H2,1-2H3.
What are the key properties of 5-butyl-3-(cyclopropylmethyl)-2-(4-methylphenyl)imidazolidin-4-one?
5-butyl-3-(cyclopropylmethyl)-2-(4-methylphenyl)imidazolidin-4-one has a molecular weight of 286.42 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(cyclopropylmethyl)-2-(4-methylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83247509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).