5-methyl-3-pentyl-2-phenylimidazolidin-4-one

C15H22N2O — CID 83250974

IUPAC5-methyl-3-pentyl-2-phenylimidazolidin-4-one
SMILESCCCCCN1C(=O)C(C)NC1c1ccccc1
InChIInChI=1S/C15H22N2O/c1-3-4-8-11-17-14(16-12(2)15(17)18)13-9-6-5-7-10-13/h5-7,9-10,12,14,16H,3-4,8,11H2,1-2H3
InChIKeyZKQWXQLBXVEAPO-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.70
Rot. Bonds5

About 5-methyl-3-pentyl-2-phenylimidazolidin-4-one

5-methyl-3-pentyl-2-phenylimidazolidin-4-one (PubChem CID 83250974) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-methyl-3-pentyl-2-phenylimidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-3-pentyl-2-phenylimidazolidin-4-one
PubChem CID83250974
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-methyl-3-pentyl-2-phenylimidazolidin-4-one
SMILESCCCCCN1C(=O)C(C)NC1c1ccccc1
InChIInChI=1S/C15H22N2O/c1-3-4-8-11-17-14(16-12(2)15(17)18)13-9-6-5-7-10-13/h5-7,9-10,12,14,16H,3-4,8,11H2,1-2H3
InChIKeyZKQWXQLBXVEAPO-UHFFFAOYSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.70
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 5-methyl-3-pentyl-2-phenylimidazolidin-4-one?
The IUPAC name of 5-methyl-3-pentyl-2-phenylimidazolidin-4-one (CID 83250974) is 5-methyl-3-pentyl-2-phenylimidazolidin-4-one.
What is the SMILES notation for 5-methyl-3-pentyl-2-phenylimidazolidin-4-one?
The canonical SMILES for 5-methyl-3-pentyl-2-phenylimidazolidin-4-one is CCCCCN1C(=O)C(C)NC1c1ccccc1.
What is the InChIKey of 5-methyl-3-pentyl-2-phenylimidazolidin-4-one?
The InChIKey is ZKQWXQLBXVEAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-4-8-11-17-14(16-12(2)15(17)18)13-9-6-5-7-10-13/h5-7,9-10,12,14,16H,3-4,8,11H2,1-2H3.
What are the key properties of 5-methyl-3-pentyl-2-phenylimidazolidin-4-one?
5-methyl-3-pentyl-2-phenylimidazolidin-4-one has a molecular weight of 246.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-pentyl-2-phenylimidazolidin-4-one is sourced from PubChem (CID 83250974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).