N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(4-phenyl-1H-pyrrol-3-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

C117H119F15N14O13 — CID 167562959

IUPACN-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(4-phenyl-1H-pyrrol-3-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1ccn[nH]1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cn[nH]c1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1ncc[nH]1.Cc1ccccc1CN(Cc1c[nH]cc1-c1ccccc1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1cnc[nH]1)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C29H29F3N2O2.3C22H22F3N3O3.C22H24F3N3O2/c1-21-7-5-6-10-23(21)17-34(18-24-15-33-16-28(24)22-8-3-2-4-9-22)19-26(35)20-36-27-13-11-25(12-14-27)29(30,31)32;1-15-4-2-3-5-16(15)12-28(21(30)17-10-26-27-11-17)13-19(29)14-31-20-8-6-18(7-9-20)22(23,24)25;1-15-4-2-3-5-16(15)12-28(21(30)20-26-10-11-27-20)13-18(29)14-31-19-8-6-17(7-9-19)22(23,24)25;1-15-4-2-3-5-16(15)12-28(21(30)20-10-11-26-27-20)13-18(29)14-31-19-8-6-17(7-9-19)22(23,24)25;1-16-4-2-3-5-17(16)11-28(12-19-10-26-15-27-19)13-20(29)14-30-21-8-6-18(7-9-21)22(23,24)25/h2-16,26,33,35H,17-20H2,1H3;2-11,19,29H,12-14H2,1H3,(H,26,27);2*2-11,18,29H,12-14H2,1H3,(H,26,27);2-10,15,20,29H,11-14H2,1H3,(H,26,27)
InChIKeyDXEKKRCWDBKYOY-UHFFFAOYSA-N
MW2214.29 g/mol
LogP22.09
Rot. Bonds43

About N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(4-phenyl-1H-pyrrol-3-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(4-phenyl-1H-pyrrol-3-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 167562959) has the molecular formula C117H119F15N14O13 and a molecular weight of 2214.29 g/mol. Its IUPAC name is N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(4-phenyl-1H-pyrrol-3-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound NameN-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(4-phenyl-1H-pyrrol-3-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID167562959
Molecular FormulaC117H119F15N14O13
Molecular Weight2214.29 g/mol
Exact Mass2212.88
IUPAC NameN-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(4-phenyl-1H-pyrrol-3-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1ccn[nH]1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cn[nH]c1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1ncc[nH]1.Cc1ccccc1CN(Cc1c[nH]cc1-c1ccccc1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1cnc[nH]1)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C29H29F3N2O2.3C22H22F3N3O3.C22H24F3N3O2/c1-21-7-5-6-10-23(21)17-34(18-24-15-33-16-28(24)22-8-3-2-4-9-22)19-26(35)20-36-27-13-11-25(12-14-27)29(30,31)32;1-15-4-2-3-5-16(15)12-28(21(30)17-10-26-27-11-17)13-19(29)14-31-20-8-6-18(7-9-20)22(23,24)25;1-15-4-2-3-5-16(15)12-28(21(30)20-26-10-11-27-20)13-18(29)14-31-19-8-6-17(7-9-19)22(23,24)25;1-15-4-2-3-5-16(15)12-28(21(30)20-10-11-26-27-20)13-18(29)14-31-19-8-6-17(7-9-19)22(23,24)25;1-16-4-2-3-5-17(16)11-28(12-19-10-26-15-27-19)13-20(29)14-30-21-8-6-18(7-9-21)22(23,24)25/h2-16,26,33,35H,17-20H2,1H3;2-11,19,29H,12-14H2,1H3,(H,26,27);2*2-11,18,29H,12-14H2,1H3,(H,26,27);2-10,15,20,29H,11-14H2,1H3,(H,26,27)
InChIKeyDXEKKRCWDBKYOY-UHFFFAOYSA-N
XLogP22.09
TPSA345.22 Ų
H-Bond Donors10
H-Bond Acceptors19
Rotatable Bonds43
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002214.29
LogP ≤ 522.09
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1019

Analyze N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(4-phenyl-1H-pyrrol-3-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol with MolForge

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Related Compounds

1-ethyl-4-methylidene-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine;1-ethyl-4-methylidene-7-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine;7-(1-ethylpyrazol-4-yl)-4-methylidene-5-[4-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]pyridine;7-(1-ethylpyrazol-4-yl)-1-methyl-4-methylidene-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine;4-methylidene-7-(1-propan-2-ylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]pyridine;1-methyl-4-methylidene-7-(1-propan-2-ylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine;7-(1-methylpyrazol-4-yl)-3-propyl-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one
CID 158261208
1,2-dimethyl-4-methylidene-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine;7-(1-ethylpyrazol-4-yl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;methane;3-methyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;bis(3-methyl-7-(1-propan-2-ylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one);3-methyl-7-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;7-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-4-one
CID 160167395
1-benzyl-7-(4-fluorophenyl)-4-methylidene-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine;1-benzyl-4-methylidene-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine;7-(4-fluorophenyl)-4-methylidene-5-[4-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]pyridine;7-(4-fluorophenyl)-3-methyl-4-methylidene-5-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-3-ium;methane;4-methylidene-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]pyridine;1-methyl-4-methylidene-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine;3-methyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one
CID 160438109
1,2-dimethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;7-(1-ethylpyrazol-4-yl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;3-ethyl-7-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;methane;3-methyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one;bis(3-methyl-7-(1-propan-2-ylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one);7-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-4-one
CID 160908378
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(difluoromethoxy)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-fluoro-2-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(trifluoromethoxy)benzamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide
CID 160988183
CID 165107533
CID 165107533
N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide;1-[3-(3-methylimidazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(3S)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline;(3R)-3-pyridin-3-yl-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline
CID 167594372
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]pyrrole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,4-diene-1-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-3H-pyrrole-4-carboxamide
CID 167642831
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-3H-pyrrole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-3H-pyrrole-5-carboxamide
CID 167642999
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-5-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxamide;1-[(1-methylimidazol-2-yl)methyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-methyl-3H-pyrrol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167667412
N,N-dibenzyl-3-[4-(trifluoromethyl)phenoxy]propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167697673
3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)benzamide;3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)benzoic acid;2-[2-ethoxy-4-(2-phenylacetyl)phenyl]-1,7-dihydropurin-6-one;2-[2-ethoxy-4-(1H-pyrazol-5-yl)phenyl]-3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;2-[2-ethoxy-4-(pyrrolidine-1-carbonyl)phenyl]-1,7-dihydropurin-6-one
CID 157215461

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(4-phenyl-1H-pyrrol-3-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(4-phenyl-1H-pyrrol-3-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (CID 167562959) is N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(4-phenyl-1H-pyrrol-3-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(4-phenyl-1H-pyrrol-3-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(4-phenyl-1H-pyrrol-3-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1ccn[nH]1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cn[nH]c1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1ncc[nH]1.Cc1ccccc1CN(Cc1c[nH]cc1-c1ccccc1)CC(O)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1cnc[nH]1)CC(O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(4-phenyl-1H-pyrrol-3-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is DXEKKRCWDBKYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N2O2.3C22H22F3N3O3.C22H24F3N3O2/c1-21-7-5-6-10-23(21)17-34(18-24-15-33-16-28(24)22-8-3-2-4-9-22)19-26(35)20-36-27-13-11-25(12-14-27)29(30,31)32;1-15-4-2-3-5-16(15)12-28(21(30)17-10-26-27-11-17)13-19(29)14-31-20-8-6-18(7-9-20)22(23,24)25;1-15-4-2-3-5-16(15)12-28(21(30)20-26-10-11-27-20)13-18(29)14-31-19-8-6-17(7-9-19)22(23,24)25;1-15-4-2-3-5-16(15)12-28(21(30)20-10-11-26-27-20)13-18(29)14-31-19-8-6-17(7-9-19)22(23,24)25;1-16-4-2-3-5-17(16)11-28(12-19-10-26-15-27-19)13-20(29)14-30-21-8-6-18(7-9-21)22(23,24)25/h2-16,26,33,35H,17-20H2,1H3;2-11,19,29H,12-14H2,1H3,(H,26,27);2*2-11,18,29H,12-14H2,1H3,(H,26,27);2-10,15,20,29H,11-14H2,1H3,(H,26,27).
What are the key properties of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(4-phenyl-1H-pyrrol-3-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(4-phenyl-1H-pyrrol-3-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 2214.29 g/mol, XLogP of 22.09, 43 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(4-phenyl-1H-pyrrol-3-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 167562959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).