phenyl-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]methanone

C29H29N3O — CID 11430490

IUPACphenyl-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCC(c1ccccc1)n1ccnc1C1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C29H29N3O/c1-23(24-11-5-2-6-12-24)32-22-19-30-28(32)29(26-15-9-4-10-16-26)17-20-31(21-18-29)27(33)25-13-7-3-8-14-25/h2-16,19,22-23H,17-18,20-21H2,1H3
InChIKeyJXUWRZZEVUREMV-UHFFFAOYSA-N
MW435.57 g/mol
LogP5.71
Rot. Bonds5

About phenyl-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]methanone

phenyl-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 11430490) has the molecular formula C29H29N3O and a molecular weight of 435.57 g/mol. Its IUPAC name is phenyl-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID11430490
Molecular FormulaC29H29N3O
Molecular Weight435.57 g/mol
Exact Mass435.23
IUPAC Namephenyl-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCC(c1ccccc1)n1ccnc1C1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C29H29N3O/c1-23(24-11-5-2-6-12-24)32-22-19-30-28(32)29(26-15-9-4-10-16-26)17-20-31(21-18-29)27(33)25-13-7-3-8-14-25/h2-16,19,22-23H,17-18,20-21H2,1H3
InChIKeyJXUWRZZEVUREMV-UHFFFAOYSA-N
XLogP5.71
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze phenyl-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]methanone 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 phenyl-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of phenyl-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 11430490) is phenyl-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for phenyl-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]methanone is CC(c1ccccc1)n1ccnc1C1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of phenyl-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is JXUWRZZEVUREMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O/c1-23(24-11-5-2-6-12-24)32-22-19-30-28(32)29(26-15-9-4-10-16-26)17-20-31(21-18-29)27(33)25-13-7-3-8-14-25/h2-16,19,22-23H,17-18,20-21H2,1H3.
What are the key properties of phenyl-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]methanone?
phenyl-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 435.57 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 11430490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).