1-methyl-4-[4-phenyl-5-(2-prop-2-enoxyphenyl)imidazol-1-yl]piperidine

C24H27N3O — CID 50966913

IUPAC1-methyl-4-[4-phenyl-5-(2-prop-2-enoxyphenyl)imidazol-1-yl]piperidine
SMILESC=CCOc1ccccc1-c1c(-c2ccccc2)ncn1C1CCN(C)CC1
InChIInChI=1S/C24H27N3O/c1-3-17-28-22-12-8-7-11-21(22)24-23(19-9-5-4-6-10-19)25-18-27(24)20-13-15-26(2)16-14-20/h3-12,18,20H,1,13-17H2,2H3
InChIKeyBBRRBEVYLZHVBS-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.05
Rot. Bonds6

About 1-methyl-4-[4-phenyl-5-(2-prop-2-enoxyphenyl)imidazol-1-yl]piperidine

1-methyl-4-[4-phenyl-5-(2-prop-2-enoxyphenyl)imidazol-1-yl]piperidine (PubChem CID 50966913) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-methyl-4-[4-phenyl-5-(2-prop-2-enoxyphenyl)imidazol-1-yl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[4-phenyl-5-(2-prop-2-enoxyphenyl)imidazol-1-yl]piperidine
PubChem CID50966913
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name1-methyl-4-[4-phenyl-5-(2-prop-2-enoxyphenyl)imidazol-1-yl]piperidine
SMILESC=CCOc1ccccc1-c1c(-c2ccccc2)ncn1C1CCN(C)CC1
InChIInChI=1S/C24H27N3O/c1-3-17-28-22-12-8-7-11-21(22)24-23(19-9-5-4-6-10-19)25-18-27(24)20-13-15-26(2)16-14-20/h3-12,18,20H,1,13-17H2,2H3
InChIKeyBBRRBEVYLZHVBS-UHFFFAOYSA-N
XLogP5.05
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-methyl-4-[4-phenyl-5-(2-prop-2-enoxyphenyl)imidazol-1-yl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-phenyl-5-(2-prop-2-enoxyphenyl)imidazol-1-yl]piperidine?
The IUPAC name of 1-methyl-4-[4-phenyl-5-(2-prop-2-enoxyphenyl)imidazol-1-yl]piperidine (CID 50966913) is 1-methyl-4-[4-phenyl-5-(2-prop-2-enoxyphenyl)imidazol-1-yl]piperidine.
What is the SMILES notation for 1-methyl-4-[4-phenyl-5-(2-prop-2-enoxyphenyl)imidazol-1-yl]piperidine?
The canonical SMILES for 1-methyl-4-[4-phenyl-5-(2-prop-2-enoxyphenyl)imidazol-1-yl]piperidine is C=CCOc1ccccc1-c1c(-c2ccccc2)ncn1C1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[4-phenyl-5-(2-prop-2-enoxyphenyl)imidazol-1-yl]piperidine?
The InChIKey is BBRRBEVYLZHVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-3-17-28-22-12-8-7-11-21(22)24-23(19-9-5-4-6-10-19)25-18-27(24)20-13-15-26(2)16-14-20/h3-12,18,20H,1,13-17H2,2H3.
What are the key properties of 1-methyl-4-[4-phenyl-5-(2-prop-2-enoxyphenyl)imidazol-1-yl]piperidine?
1-methyl-4-[4-phenyl-5-(2-prop-2-enoxyphenyl)imidazol-1-yl]piperidine has a molecular weight of 373.50 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-phenyl-5-(2-prop-2-enoxyphenyl)imidazol-1-yl]piperidine is sourced from PubChem (CID 50966913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).