2-methylidene-5,5-diphenyl-3-(5-piperidin-1-ylpentyl)imidazolidin-4-one

C26H33N3O — CID 145461171

IUPAC2-methylidene-5,5-diphenyl-3-(5-piperidin-1-ylpentyl)imidazolidin-4-one
SMILESC=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCCN1CCCCC1
InChIInChI=1S/C26H33N3O/c1-22-27-26(23-14-6-2-7-15-23,24-16-8-3-9-17-24)25(30)29(22)21-13-5-12-20-28-18-10-4-11-19-28/h2-3,6-9,14-17,27H,1,4-5,10-13,18-21H2
InChIKeyZQSDRSCUZVONHO-UHFFFAOYSA-N
MW403.57 g/mol
LogP4.49
Rot. Bonds8

About 2-methylidene-5,5-diphenyl-3-(5-piperidin-1-ylpentyl)imidazolidin-4-one

2-methylidene-5,5-diphenyl-3-(5-piperidin-1-ylpentyl)imidazolidin-4-one (PubChem CID 145461171) has the molecular formula C26H33N3O and a molecular weight of 403.57 g/mol. Its IUPAC name is 2-methylidene-5,5-diphenyl-3-(5-piperidin-1-ylpentyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-methylidene-5,5-diphenyl-3-(5-piperidin-1-ylpentyl)imidazolidin-4-one
PubChem CID145461171
Molecular FormulaC26H33N3O
Molecular Weight403.57 g/mol
Exact Mass403.26
IUPAC Name2-methylidene-5,5-diphenyl-3-(5-piperidin-1-ylpentyl)imidazolidin-4-one
SMILESC=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCCN1CCCCC1
InChIInChI=1S/C26H33N3O/c1-22-27-26(23-14-6-2-7-15-23,24-16-8-3-9-17-24)25(30)29(22)21-13-5-12-20-28-18-10-4-11-19-28/h2-3,6-9,14-17,27H,1,4-5,10-13,18-21H2
InChIKeyZQSDRSCUZVONHO-UHFFFAOYSA-N
XLogP4.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methylidene-5,5-diphenyl-3-(5-piperidin-1-ylpentyl)imidazolidin-4-one?
The IUPAC name of 2-methylidene-5,5-diphenyl-3-(5-piperidin-1-ylpentyl)imidazolidin-4-one (CID 145461171) is 2-methylidene-5,5-diphenyl-3-(5-piperidin-1-ylpentyl)imidazolidin-4-one.
What is the SMILES notation for 2-methylidene-5,5-diphenyl-3-(5-piperidin-1-ylpentyl)imidazolidin-4-one?
The canonical SMILES for 2-methylidene-5,5-diphenyl-3-(5-piperidin-1-ylpentyl)imidazolidin-4-one is C=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCCN1CCCCC1.
What is the InChIKey of 2-methylidene-5,5-diphenyl-3-(5-piperidin-1-ylpentyl)imidazolidin-4-one?
The InChIKey is ZQSDRSCUZVONHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O/c1-22-27-26(23-14-6-2-7-15-23,24-16-8-3-9-17-24)25(30)29(22)21-13-5-12-20-28-18-10-4-11-19-28/h2-3,6-9,14-17,27H,1,4-5,10-13,18-21H2.
What are the key properties of 2-methylidene-5,5-diphenyl-3-(5-piperidin-1-ylpentyl)imidazolidin-4-one?
2-methylidene-5,5-diphenyl-3-(5-piperidin-1-ylpentyl)imidazolidin-4-one has a molecular weight of 403.57 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-5,5-diphenyl-3-(5-piperidin-1-ylpentyl)imidazolidin-4-one is sourced from PubChem (CID 145461171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).