5-[[4-[3-(4-imidazol-1-ylphenyl)propyl]piperidin-1-yl]methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol

C35H37F3N4O2 — CID 91123091

IUPAC5-[[4-[3-(4-imidazol-1-ylphenyl)propyl]piperidin-1-yl]methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESCc1cc(CN2CCC(CCCc3ccc(-n4ccnc4)cc3)CC2)cc2cn(Cc3ccc(OC(F)(F)F)cc3)c(O)c12
InChIInChI=1S/C35H37F3N4O2/c1-25-19-29(20-30-23-42(34(43)33(25)30)22-28-7-11-32(12-8-28)44-35(36,37)38)21-40-16-13-27(14-17-40)4-2-3-26-5-9-31(10-6-26)41-18-15-39-24-41/h5-12,15,18-20,23-24,27,43H,2-4,13-14,16-17,21-22H2,1H3
InChIKeyAYMYWNSVKQDNEJ-UHFFFAOYSA-N
MW602.70 g/mol
LogP8.02
Rot. Bonds10

About 5-[[4-[3-(4-imidazol-1-ylphenyl)propyl]piperidin-1-yl]methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol

5-[[4-[3-(4-imidazol-1-ylphenyl)propyl]piperidin-1-yl]methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (PubChem CID 91123091) has the molecular formula C35H37F3N4O2 and a molecular weight of 602.70 g/mol. Its IUPAC name is 5-[[4-[3-(4-imidazol-1-ylphenyl)propyl]piperidin-1-yl]methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.

Molecular Properties

Compound Name5-[[4-[3-(4-imidazol-1-ylphenyl)propyl]piperidin-1-yl]methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
PubChem CID91123091
Molecular FormulaC35H37F3N4O2
Molecular Weight602.70 g/mol
Exact Mass602.29
IUPAC Name5-[[4-[3-(4-imidazol-1-ylphenyl)propyl]piperidin-1-yl]methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESCc1cc(CN2CCC(CCCc3ccc(-n4ccnc4)cc3)CC2)cc2cn(Cc3ccc(OC(F)(F)F)cc3)c(O)c12
InChIInChI=1S/C35H37F3N4O2/c1-25-19-29(20-30-23-42(34(43)33(25)30)22-28-7-11-32(12-8-28)44-35(36,37)38)21-40-16-13-27(14-17-40)4-2-3-26-5-9-31(10-6-26)41-18-15-39-24-41/h5-12,15,18-20,23-24,27,43H,2-4,13-14,16-17,21-22H2,1H3
InChIKeyAYMYWNSVKQDNEJ-UHFFFAOYSA-N
XLogP8.02
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.70
LogP ≤ 58.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[4-[3-(4-imidazol-1-ylphenyl)propyl]piperidin-1-yl]methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

4-[1-[4-(Difluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-yl]-3-methylphenol
CID 164623995
2-[8-(4-Methoxyphenyl)imidazo[1,5-a]pyridin-6-yl]phenol
CID 134806353
3-[8-(4-Methoxyphenyl)imidazo[1,5-a]pyridin-6-yl]phenol
CID 134806004
[4-[8-(4-Methoxyphenyl)imidazo[1,5-a]pyridin-6-yl]phenyl]methanol
CID 134806689
[3-[8-(4-Methoxyphenyl)imidazo[1,5-a]pyridin-6-yl]phenyl]methanol
CID 134806976
2-[2-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimido[4,5-b]indol-6-yl]propan-2-ol
CID 178255012
2-[3-(2,2'-Difluoro-4'-methoxybiphenyl-5-yl)-8-fluoroimidazo[1,2-alpha]pyridin-7-yl]propan-2-ol
CID 10024646
1-(4-Fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(1-methylimidazol-2-yl)indole
CID 10239264
5-[[4-[3-(4-imidazol-1-ylphenyl)propyl]piperidin-1-yl]methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
CID 11570727
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-[(1-methylindol-5-yl)methyl]methanamine
CID 18437646
2-(3-Methoxyphenyl)-6-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine
CID 23025908
[3-[2-[4-(Difluoromethoxy)phenyl]-3-methylimidazo[1,2-a]pyridin-6-yl]phenyl]methanol
CID 44234020

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[3-(4-imidazol-1-ylphenyl)propyl]piperidin-1-yl]methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The IUPAC name of 5-[[4-[3-(4-imidazol-1-ylphenyl)propyl]piperidin-1-yl]methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (CID 91123091) is 5-[[4-[3-(4-imidazol-1-ylphenyl)propyl]piperidin-1-yl]methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.
What is the SMILES notation for 5-[[4-[3-(4-imidazol-1-ylphenyl)propyl]piperidin-1-yl]methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The canonical SMILES for 5-[[4-[3-(4-imidazol-1-ylphenyl)propyl]piperidin-1-yl]methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is Cc1cc(CN2CCC(CCCc3ccc(-n4ccnc4)cc3)CC2)cc2cn(Cc3ccc(OC(F)(F)F)cc3)c(O)c12.
What is the InChIKey of 5-[[4-[3-(4-imidazol-1-ylphenyl)propyl]piperidin-1-yl]methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The InChIKey is AYMYWNSVKQDNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37F3N4O2/c1-25-19-29(20-30-23-42(34(43)33(25)30)22-28-7-11-32(12-8-28)44-35(36,37)38)21-40-16-13-27(14-17-40)4-2-3-26-5-9-31(10-6-26)41-18-15-39-24-41/h5-12,15,18-20,23-24,27,43H,2-4,13-14,16-17,21-22H2,1H3.
What are the key properties of 5-[[4-[3-(4-imidazol-1-ylphenyl)propyl]piperidin-1-yl]methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
5-[[4-[3-(4-imidazol-1-ylphenyl)propyl]piperidin-1-yl]methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol has a molecular weight of 602.70 g/mol, XLogP of 8.02, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[3-(4-imidazol-1-ylphenyl)propyl]piperidin-1-yl]methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is sourced from PubChem (CID 91123091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).