2-(2-methylphenyl)-3-pentan-3-yl-5-propylimidazolidin-4-one

C18H28N2O — CID 83246193

IUPAC2-(2-methylphenyl)-3-pentan-3-yl-5-propylimidazolidin-4-one
SMILESCCCC1NC(c2ccccc2C)N(C(CC)CC)C1=O
InChIInChI=1S/C18H28N2O/c1-5-10-16-18(21)20(14(6-2)7-3)17(19-16)15-12-9-8-11-13(15)4/h8-9,11-12,14,16-17,19H,5-7,10H2,1-4H3
InChIKeyMHWDZMXVALAEJM-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.78
Rot. Bonds6

About 2-(2-methylphenyl)-3-pentan-3-yl-5-propylimidazolidin-4-one

2-(2-methylphenyl)-3-pentan-3-yl-5-propylimidazolidin-4-one (PubChem CID 83246193) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-(2-methylphenyl)-3-pentan-3-yl-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name2-(2-methylphenyl)-3-pentan-3-yl-5-propylimidazolidin-4-one
PubChem CID83246193
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2-(2-methylphenyl)-3-pentan-3-yl-5-propylimidazolidin-4-one
SMILESCCCC1NC(c2ccccc2C)N(C(CC)CC)C1=O
InChIInChI=1S/C18H28N2O/c1-5-10-16-18(21)20(14(6-2)7-3)17(19-16)15-12-9-8-11-13(15)4/h8-9,11-12,14,16-17,19H,5-7,10H2,1-4H3
InChIKeyMHWDZMXVALAEJM-UHFFFAOYSA-N
XLogP3.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-cyclopropylethyl)-2-(2-methylphenyl)-5-propylimidazolidin-4-one
CID 83244761
3-cyclopropyl-2-(2-methylphenyl)-5-propylimidazolidin-4-one
CID 83243070
2-(2-methylphenyl)-3-pentyl-5-propylimidazolidin-4-one
CID 83246229
2-(2-fluorophenyl)-3-pentan-2-yl-5-propylimidazolidin-4-one
CID 83237041
5-butyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one
CID 83245916
5-ethyl-3-methyl-2-(2-methylphenyl)imidazolidin-4-one
CID 83259790
3,5-diethyl-2-(2-methylphenyl)imidazolidin-4-one
CID 83239063
5-benzyl-3-pentan-3-yl-2-propylimidazolidin-4-one
CID 83246189
2-(2-methoxyphenyl)-5-methyl-3-pentan-3-ylimidazolidin-4-one
CID 83242516
3-pentan-2-yl-2-phenyl-5-propylimidazolidin-4-one
CID 83239646
2-(2-methylpropyl)-3-pentan-3-yl-5-propylimidazolidin-4-one
CID 83242841
5-butyl-3-pentan-3-yl-2-thiophen-3-ylimidazolidin-4-one
CID 83243016

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-3-pentan-3-yl-5-propylimidazolidin-4-one?
The IUPAC name of 2-(2-methylphenyl)-3-pentan-3-yl-5-propylimidazolidin-4-one (CID 83246193) is 2-(2-methylphenyl)-3-pentan-3-yl-5-propylimidazolidin-4-one.
What is the SMILES notation for 2-(2-methylphenyl)-3-pentan-3-yl-5-propylimidazolidin-4-one?
The canonical SMILES for 2-(2-methylphenyl)-3-pentan-3-yl-5-propylimidazolidin-4-one is CCCC1NC(c2ccccc2C)N(C(CC)CC)C1=O.
What is the InChIKey of 2-(2-methylphenyl)-3-pentan-3-yl-5-propylimidazolidin-4-one?
The InChIKey is MHWDZMXVALAEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-10-16-18(21)20(14(6-2)7-3)17(19-16)15-12-9-8-11-13(15)4/h8-9,11-12,14,16-17,19H,5-7,10H2,1-4H3.
What are the key properties of 2-(2-methylphenyl)-3-pentan-3-yl-5-propylimidazolidin-4-one?
2-(2-methylphenyl)-3-pentan-3-yl-5-propylimidazolidin-4-one has a molecular weight of 288.43 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-3-pentan-3-yl-5-propylimidazolidin-4-one is sourced from PubChem (CID 83246193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).