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

C18H28N2O — CID 83262703

IUPAC3-(4-methylpentyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one
SMILESCC(C)CCCN1C(=O)CNC1c1ccc(C(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-13(2)6-5-11-20-17(21)12-19-18(20)16-9-7-15(8-10-16)14(3)4/h7-10,13-14,18-19H,5-6,11-12H2,1-4H3
InChIKeyMUBRCWKNCGUNSA-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.68
Rot. Bonds6

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

3-(4-methylpentyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one (PubChem CID 83262703) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-(4-methylpentyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(4-methylpentyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one
PubChem CID83262703
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-(4-methylpentyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one
SMILESCC(C)CCCN1C(=O)CNC1c1ccc(C(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-13(2)6-5-11-20-17(21)12-19-18(20)16-9-7-15(8-10-16)14(3)4/h7-10,13-14,18-19H,5-6,11-12H2,1-4H3
InChIKeyMUBRCWKNCGUNSA-UHFFFAOYSA-N
XLogP3.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenyl)imidazolidin-4-one
CID 83251685
3-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one
CID 115282239
2-(4-propan-2-ylphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83248898
3-(cyclobutylmethyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one
CID 83243420
3-(4-methylpentyl)-2-(2-methylphenyl)imidazolidin-4-one
CID 83254947
3-(2-methoxy-2-methylpropyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one
CID 114983375
2-(4-ethoxyphenyl)-3-(3-methylbutyl)imidazolidin-4-one
CID 83236919
3-(5-methylhexyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83260430
2-(4-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257494
3-butyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83238040
3-(6-methylheptan-2-yl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83252329
2-(4-methylphenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83259867

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one?
The IUPAC name of 3-(4-methylpentyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one (CID 83262703) is 3-(4-methylpentyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(4-methylpentyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one?
The canonical SMILES for 3-(4-methylpentyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one is CC(C)CCCN1C(=O)CNC1c1ccc(C(C)C)cc1.
What is the InChIKey of 3-(4-methylpentyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one?
The InChIKey is MUBRCWKNCGUNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)6-5-11-20-17(21)12-19-18(20)16-9-7-15(8-10-16)14(3)4/h7-10,13-14,18-19H,5-6,11-12H2,1-4H3.
What are the key properties of 3-(4-methylpentyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one?
3-(4-methylpentyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one has a molecular weight of 288.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83262703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).