(3R)-3-amino-6-[2-[[5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid

C24H29F6N3O3 — CID 162620378

IUPAC(3R)-3-amino-6-[2-[[5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid
SMILESN[C@H](CCCOc1ccccc1Cn1c(C(F)(F)F)cnc1C1CCC(C(F)(F)F)CC1)CC(=O)O
InChIInChI=1S/C24H29F6N3O3/c25-23(26,27)17-9-7-15(8-10-17)22-32-13-20(24(28,29)30)33(22)14-16-4-1-2-6-19(16)36-11-3-5-18(31)12-21(34)35/h1-2,4,6,13,15,17-18H,3,5,7-12,14,31H2,(H,34,35)/t15?,17?,18-/m1/s1
InChIKeyXRIITCAZGSIPDP-VMWRSERWSA-N
MW521.50 g/mol
LogP5.75
Rot. Bonds10

About (3R)-3-amino-6-[2-[[5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid

(3R)-3-amino-6-[2-[[5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid (PubChem CID 162620378) has the molecular formula C24H29F6N3O3 and a molecular weight of 521.50 g/mol. Its IUPAC name is (3R)-3-amino-6-[2-[[5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-6-[2-[[5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid
PubChem CID162620378
Molecular FormulaC24H29F6N3O3
Molecular Weight521.50 g/mol
Exact Mass521.21
IUPAC Name(3R)-3-amino-6-[2-[[5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid
SMILESN[C@H](CCCOc1ccccc1Cn1c(C(F)(F)F)cnc1C1CCC(C(F)(F)F)CC1)CC(=O)O
InChIInChI=1S/C24H29F6N3O3/c25-23(26,27)17-9-7-15(8-10-17)22-32-13-20(24(28,29)30)33(22)14-16-4-1-2-6-19(16)36-11-3-5-18(31)12-21(34)35/h1-2,4,6,13,15,17-18H,3,5,7-12,14,31H2,(H,34,35)/t15?,17?,18-/m1/s1
InChIKeyXRIITCAZGSIPDP-VMWRSERWSA-N
XLogP5.75
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.50
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R)-3-amino-6-[2-[[5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid 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

(3R)-3-amino-6-[2-[[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid
CID 129027021
(3R)-3-amino-6-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid
CID 129027008
(3R)-3-amino-6-[2-[[2,4-dimethyl-7-[4-(trifluoromethoxy)phenyl]-4,5-dihydroazepin-1-yl]methyl]phenoxy]hexanoic acid
CID 148928171
(3R)-3-amino-6-[4-methyl-2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid
CID 129026927
3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid
CID 126752364
2-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]acetic acid
CID 80740396
ethyl (3R)-3-amino-6-[2-[[2-(4-chloro-3-fluorophenyl)-5-methylimidazol-1-yl]methyl]phenoxy]hexanoate
CID 129026941
6-[2-[[2-(4-methoxyphenyl)-5-methylimidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid
CID 138488028
2-[2-(4-methylpentoxy)phenyl]acetic acid
CID 83153029
2-[2-[[3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 56915846
2-[2-[[4-(trifluoromethyl)cyclohexyl]amino]phenyl]acetamide
CID 64754665
(4R)-4-methyl-7-[2-[[2-(6-methyl-3-pyridinyl)-5-(trideuteriomethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[2-(6-methyl-3-pyridinyl)-5-(trideuteriomethyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[2-(6-methyl-3-pyridinyl)-5-(trideuteriomethyl)imidazol-1-yl]methyl]phenol
CID 159245260

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-6-[2-[[5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid?
The IUPAC name of (3R)-3-amino-6-[2-[[5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid (CID 162620378) is (3R)-3-amino-6-[2-[[5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid.
What is the SMILES notation for (3R)-3-amino-6-[2-[[5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid?
The canonical SMILES for (3R)-3-amino-6-[2-[[5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid is N[C@H](CCCOc1ccccc1Cn1c(C(F)(F)F)cnc1C1CCC(C(F)(F)F)CC1)CC(=O)O.
What is the InChIKey of (3R)-3-amino-6-[2-[[5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid?
The InChIKey is XRIITCAZGSIPDP-VMWRSERWSA-N. The full InChI is InChI=1S/C24H29F6N3O3/c25-23(26,27)17-9-7-15(8-10-17)22-32-13-20(24(28,29)30)33(22)14-16-4-1-2-6-19(16)36-11-3-5-18(31)12-21(34)35/h1-2,4,6,13,15,17-18H,3,5,7-12,14,31H2,(H,34,35)/t15?,17?,18-/m1/s1.
What are the key properties of (3R)-3-amino-6-[2-[[5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid?
(3R)-3-amino-6-[2-[[5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid has a molecular weight of 521.50 g/mol, XLogP of 5.75, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-6-[2-[[5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid is sourced from PubChem (CID 162620378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).