2-(2-methylphenyl)-3-pentyl-5-propylimidazolidin-4-one

C18H28N2O — CID 83246229

IUPAC2-(2-methylphenyl)-3-pentyl-5-propylimidazolidin-4-one
SMILESCCCCCN1C(=O)C(CCC)NC1c1ccccc1C
InChIInChI=1S/C18H28N2O/c1-4-6-9-13-20-17(15-12-8-7-11-14(15)3)19-16(10-5-2)18(20)21/h7-8,11-12,16-17,19H,4-6,9-10,13H2,1-3H3
InChIKeyBCLRSAOGEAHKBX-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.78
Rot. Bonds7

About 2-(2-methylphenyl)-3-pentyl-5-propylimidazolidin-4-one

2-(2-methylphenyl)-3-pentyl-5-propylimidazolidin-4-one (PubChem CID 83246229) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-(2-methylphenyl)-3-pentyl-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name2-(2-methylphenyl)-3-pentyl-5-propylimidazolidin-4-one
PubChem CID83246229
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2-(2-methylphenyl)-3-pentyl-5-propylimidazolidin-4-one
SMILESCCCCCN1C(=O)C(CCC)NC1c1ccccc1C
InChIInChI=1S/C18H28N2O/c1-4-6-9-13-20-17(15-12-8-7-11-14(15)3)19-16(10-5-2)18(20)21/h7-8,11-12,16-17,19H,4-6,9-10,13H2,1-3H3
InChIKeyBCLRSAOGEAHKBX-UHFFFAOYSA-N
XLogP3.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-3-pentyl-5-propylimidazolidin-4-one?
The IUPAC name of 2-(2-methylphenyl)-3-pentyl-5-propylimidazolidin-4-one (CID 83246229) is 2-(2-methylphenyl)-3-pentyl-5-propylimidazolidin-4-one.
What is the SMILES notation for 2-(2-methylphenyl)-3-pentyl-5-propylimidazolidin-4-one?
The canonical SMILES for 2-(2-methylphenyl)-3-pentyl-5-propylimidazolidin-4-one is CCCCCN1C(=O)C(CCC)NC1c1ccccc1C.
What is the InChIKey of 2-(2-methylphenyl)-3-pentyl-5-propylimidazolidin-4-one?
The InChIKey is BCLRSAOGEAHKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-6-9-13-20-17(15-12-8-7-11-14(15)3)19-16(10-5-2)18(20)21/h7-8,11-12,16-17,19H,4-6,9-10,13H2,1-3H3.
What are the key properties of 2-(2-methylphenyl)-3-pentyl-5-propylimidazolidin-4-one?
2-(2-methylphenyl)-3-pentyl-5-propylimidazolidin-4-one has a molecular weight of 288.43 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-3-pentyl-5-propylimidazolidin-4-one is sourced from PubChem (CID 83246229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).