5-methyl-1-[(2-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)benzoic acid

C107H101F18N9O15 — CID 161026395

IUPAC5-methyl-1-[(2-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)benzoic acid
SMILESC#CCNC(=O)c1ccc(OC(F)(F)F)cc1.CC(=O)C[C@H](C)CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1.Cc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1.Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1O.Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O.O=C(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C26H29F3N2O3.C25H27F3N2O4.C19H17F3N2O.C18H15F3N2O2.C11H8F3NO2.C8H5F3O3/c1-18(15-20(3)32)7-6-14-33-24-9-5-4-8-22(24)17-31-19(2)16-30-25(31)21-10-12-23(13-11-21)34-26(27,28)29;1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)34-25(26,27)28;1-13-5-3-4-6-16(13)12-24-14(2)11-23-18(24)15-7-9-17(10-8-15)25-19(20,21)22;1-12-10-22-17(23(12)11-14-4-2-3-5-16(14)24)13-6-8-15(9-7-13)25-18(19,20)21;1-2-7-15-10(16)8-3-5-9(6-4-8)17-11(12,13)14;9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h4-5,8-13,16,18H,6-7,14-15,17H2,1-3H3;3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32);3-11H,12H2,1-2H3;2-10,24H,11H2,1H3;1,3-6H,7H2,(H,15,16);1-4H,(H,12,13)/t18-;17-;;;;/m11..../s1
InChIKeyTZAMWZUZXBYGBF-KYLHLXKOSA-N
MW2095.00 g/mol
LogP26.51
Rot. Bonds35

About 5-methyl-1-[(2-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)benzoic acid

5-methyl-1-[(2-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)benzoic acid (PubChem CID 161026395) has the molecular formula C107H101F18N9O15 and a molecular weight of 2095.00 g/mol. Its IUPAC name is 5-methyl-1-[(2-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)benzoic acid.

Molecular Properties

Compound Name5-methyl-1-[(2-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)benzoic acid
PubChem CID161026395
Molecular FormulaC107H101F18N9O15
Molecular Weight2095.00 g/mol
Exact Mass2093.71
IUPAC Name5-methyl-1-[(2-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)benzoic acid
SMILESC#CCNC(=O)c1ccc(OC(F)(F)F)cc1.CC(=O)C[C@H](C)CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1.Cc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1.Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1O.Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O.O=C(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C26H29F3N2O3.C25H27F3N2O4.C19H17F3N2O.C18H15F3N2O2.C11H8F3NO2.C8H5F3O3/c1-18(15-20(3)32)7-6-14-33-24-9-5-4-8-22(24)17-31-19(2)16-30-25(31)21-10-12-23(13-11-21)34-26(27,28)29;1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)34-25(26,27)28;1-13-5-3-4-6-16(13)12-24-14(2)11-23-18(24)15-7-9-17(10-8-15)25-19(20,21)22;1-12-10-22-17(23(12)11-14-4-2-3-5-16(14)24)13-6-8-15(9-7-13)25-18(19,20)21;1-2-7-15-10(16)8-3-5-9(6-4-8)17-11(12,13)14;9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h4-5,8-13,16,18H,6-7,14-15,17H2,1-3H3;3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32);3-11H,12H2,1-2H3;2-10,24H,11H2,1H3;1,3-6H,7H2,(H,15,16);1-4H,(H,12,13)/t18-;17-;;;;/m11..../s1
InChIKeyTZAMWZUZXBYGBF-KYLHLXKOSA-N
XLogP26.51
TPSA286.12 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds35
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002095.00
LogP ≤ 526.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-methyl-1-[(2-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)benzoic acid with MolForge

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Related Compounds

4-fluorobenzoic acid;2-[(4-fluorobenzoyl)amino]acetic acid;2-(4-fluorophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-(4-fluorophenyl)-4-(2,2,2-trifluoroacetyl)-4H-1,3-oxazol-5-one;2-[[2-(4-fluorophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;(4R)-7-[2-[[2-(4-fluorophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[2-[[2-(4-fluorophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;4-fluoro-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)benzamide;methane;methyl 2-[(4-fluorobenzoyl)amino]acetate
CID 157895121
5-iodo-2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;4-isocyanobenzaldehyde;2-(4-isocyanophenyl)-4,5-dihydro-1H-imidazole;2-(4-isocyanophenyl)-1H-imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]imidazole;2-(4-isocyanophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;(4R)-7-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[2-[[2-(4-isocyanophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;methane
CID 158459078
methane;2-methyl-5-[5-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]pyridine;(4R)-4-methyl-7-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide;6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 159752899
7-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;6-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;4-iodobenzoic acid;2-[(4-iodobenzoyl)amino]acetic acid;2-(4-iodophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-(4-iodophenyl)-4-(2,2,2-trifluoroacetyl)-4H-1,3-oxazol-5-one;2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;7-[2-[[2-(4-iodophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;4-iodo-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)benzamide;methane;methyl 2-[(4-iodobenzoyl)amino]acetate
CID 159937682
5-iodo-1-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]imidazole;methane;1-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]imidazole;1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazole;(4R)-4-methyl-7-[2-[[5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid;4-(trifluoromethyl)benzaldehyde;2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole;2-[4-(trifluoromethyl)phenyl]-1H-imidazole;2-[[5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol
CID 160008346
4-acetyl-2-[4-(trifluoromethoxy)phenyl]-4H-1,3-oxazol-5-one;2-(4-methylphenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-[[2-(4-methylphenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;methyl 2-[[4-(trifluoromethoxy)benzoyl]amino]acetate;N-(3,3,3-trifluoro-2,2-dihydroxypropyl)-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)benzoic acid;2-[[4-(trifluoromethoxy)benzoyl]amino]acetic acid
CID 160038631
methane;1-(1-methylimidazol-4-yl)ethanamine;N-[(1R)-1-(1-methylimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-(1-methylimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1-methylimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 161771994
4-chlorobenzoic acid;2-[(4-chlorobenzoyl)amino]acetic acid;2-(4-chlorophenyl)-1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)imidazole;2-(4-chlorophenyl)-4-(2,2,2-trifluoroacetyl)-4H-1,3-oxazol-5-one;2-[[2-(4-chlorophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenol;(4R)-7-[2-[[2-(4-chlorophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-4-methylheptan-2-one;(3R)-6-[2-[[2-(4-chlorophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid;4-chloro-N-(3,3,3-trifluoro-2,2-dihydroxypropyl)benzamide;methane;methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 161986672
1-(1-methylimidazol-4-yl)ethanamine;N-[(1R)-1-(1-methylimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-(1-methylimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1-methylimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 167664899
ethane;2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethanamine;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-hydroxynaphthalene-1-carboxamide;N-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-7-methylnaphthalene-1-carboxamide;methane;7-methylnaphthalene-1-carboxylic acid;2-oxa-9,11,16-triazapentacyclo[16.6.2.13,7.09,13.022,26]heptacosa-1(25),3,5,7(27),10,12,18,20,22(26),23-decaen-17-one
CID 157254988
4-methylbenzoic acid;(4S)-4-methyl-7-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3S)-3-methyl-6-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;5-methyl-2-(4-methylphenyl)-1-[(2-methylphenyl)methyl]imidazole;4-methyl-N-prop-2-ynylbenzamide;sulfane
CID 157699561
4-methylbenzoic acid;(4R)-4-methyl-7-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(4-methylphenyl)imidazol-1-yl]methyl]phenol;5-methyl-2-(4-methylphenyl)-1-[(2-methylphenyl)methyl]imidazole;4-methyl-N-prop-2-ynylbenzamide
CID 158121154

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(2-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)benzoic acid?
The IUPAC name of 5-methyl-1-[(2-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)benzoic acid (CID 161026395) is 5-methyl-1-[(2-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)benzoic acid.
What is the SMILES notation for 5-methyl-1-[(2-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)benzoic acid?
The canonical SMILES for 5-methyl-1-[(2-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)benzoic acid is C#CCNC(=O)c1ccc(OC(F)(F)F)cc1.CC(=O)C[C@H](C)CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1.Cc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1.Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1O.Cc1cnc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O.O=C(O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-methyl-1-[(2-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)benzoic acid?
The InChIKey is TZAMWZUZXBYGBF-KYLHLXKOSA-N. The full InChI is InChI=1S/C26H29F3N2O3.C25H27F3N2O4.C19H17F3N2O.C18H15F3N2O2.C11H8F3NO2.C8H5F3O3/c1-18(15-20(3)32)7-6-14-33-24-9-5-4-8-22(24)17-31-19(2)16-30-25(31)21-10-12-23(13-11-21)34-26(27,28)29;1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)34-25(26,27)28;1-13-5-3-4-6-16(13)12-24-14(2)11-23-18(24)15-7-9-17(10-8-15)25-19(20,21)22;1-12-10-22-17(23(12)11-14-4-2-3-5-16(14)24)13-6-8-15(9-7-13)25-18(19,20)21;1-2-7-15-10(16)8-3-5-9(6-4-8)17-11(12,13)14;9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h4-5,8-13,16,18H,6-7,14-15,17H2,1-3H3;3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32);3-11H,12H2,1-2H3;2-10,24H,11H2,1H3;1,3-6H,7H2,(H,15,16);1-4H,(H,12,13)/t18-;17-;;;;/m11..../s1.
What are the key properties of 5-methyl-1-[(2-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)benzoic acid?
5-methyl-1-[(2-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)benzoic acid has a molecular weight of 2095.00 g/mol, XLogP of 26.51, 35 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(2-methylphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]imidazole;(4R)-4-methyl-7-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)benzoic acid is sourced from PubChem (CID 161026395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).