[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone

C29H26F3N3O2 — CID 51361163

IUPAC[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone
SMILESO=C(c1[nH]c(C(F)(F)F)nc1-c1ccccc1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H26F3N3O2/c30-29(31,32)27-33-24(20-10-4-1-5-11-20)25(34-27)26(36)35-18-16-23(17-19-35)28(37,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23,37H,16-19H2,(H,33,34)
InChIKeyDJPQKCSVZPYWQA-UHFFFAOYSA-N
MW505.54 g/mol
LogP5.88
Rot. Bonds5

About [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone

[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone (PubChem CID 51361163) has the molecular formula C29H26F3N3O2 and a molecular weight of 505.54 g/mol. Its IUPAC name is [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone.

Molecular Properties

Compound Name[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone
PubChem CID51361163
Molecular FormulaC29H26F3N3O2
Molecular Weight505.54 g/mol
Exact Mass505.20
IUPAC Name[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone
SMILESO=C(c1[nH]c(C(F)(F)F)nc1-c1ccccc1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H26F3N3O2/c30-29(31,32)27-33-24(20-10-4-1-5-11-20)25(34-27)26(36)35-18-16-23(17-19-35)28(37,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23,37H,16-19H2,(H,33,34)
InChIKeyDJPQKCSVZPYWQA-UHFFFAOYSA-N
XLogP5.88
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.54
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-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 [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone?
The IUPAC name of [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone (CID 51361163) is [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone.
What is the SMILES notation for [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone?
The canonical SMILES for [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone is O=C(c1[nH]c(C(F)(F)F)nc1-c1ccccc1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone?
The InChIKey is DJPQKCSVZPYWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F3N3O2/c30-29(31,32)27-33-24(20-10-4-1-5-11-20)25(34-27)26(36)35-18-16-23(17-19-35)28(37,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23,37H,16-19H2,(H,33,34).
What are the key properties of [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone?
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone has a molecular weight of 505.54 g/mol, XLogP of 5.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone is sourced from PubChem (CID 51361163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).