(2S)-2-amino-2-phenylethanol;3-bromobutan-2-one;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S,5S)-6-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-5-phenylhexan-3-one;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid

C92H107BrCl2F18N18O10 — CID 159495668

IUPAC(2S)-2-amino-2-phenylethanol;3-bromobutan-2-one;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S,5S)-6-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-5-phenylhexan-3-one;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid
SMILESCC(=O)C(C)Br.CC(=O)C(C)n1cc(C(F)(F)F)nc1C.CC(C)c1c(N)cnn1-c1ccc(Cl)cc1.Cc1nc(C(F)(F)F)cn1C(C)C(=O)O.Cc1nc(C(F)(F)F)cn1[C@@H](C)C(=O)C[C@H](CO)c1ccccc1.Cc1nc(C(F)(F)F)cn1[C@@H](C)C(=O)Cc1cnn(-c2ccc(Cl)cc2)c1C(C)C.Cc1nc(C(F)(F)F)cn1[C@@H](C)C(=O)O.Cc1ncc(C(F)(F)F)[nH]1.N[C@H](CO)c1ccccc1
InChIInChI=1S/C21H22ClF3N4O.C17H19F3N2O2.C12H14ClN3.C9H11F3N2O.2C8H9F3N2O2.C8H11NO.C5H5F3N2.C4H7BrO/c1-12(2)20-15(10-26-29(20)17-7-5-16(22)6-8-17)9-18(30)13(3)28-11-19(21(23,24)25)27-14(28)4;1-11(22-9-16(17(18,19)20)21-12(22)2)15(24)8-14(10-23)13-6-4-3-5-7-13;1-8(2)12-11(14)7-15-16(12)10-5-3-9(13)4-6-10;1-5(6(2)15)14-4-8(9(10,11)12)13-7(14)3;2*1-4(7(14)15)13-3-6(8(9,10)11)12-5(13)2;9-8(6-10)7-4-2-1-3-5-7;1-3-9-2-4(10-3)5(6,7)8;1-3(5)4(2)6/h5-8,10-13H,9H2,1-4H3;3-7,9,11,14,23H,8,10H2,1-2H3;3-8H,14H2,1-2H3;4-5H,1-3H3;2*3-4H,1-2H3,(H,14,15);1-5,8,10H,6,9H2;2H,1H3,(H,9,10);3H,1-2H3/t13-;11-,14+;;;4-;;8-;;/m00..0.1../s1
InChIKeyLYTCZBDYLMRCCK-KHYNQIIASA-N
MW2117.76 g/mol
LogP22.13
Rot. Bonds23

About (2S)-2-amino-2-phenylethanol;3-bromobutan-2-one;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S,5S)-6-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-5-phenylhexan-3-one;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid

(2S)-2-amino-2-phenylethanol;3-bromobutan-2-one;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S,5S)-6-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-5-phenylhexan-3-one;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid (PubChem CID 159495668) has the molecular formula C92H107BrCl2F18N18O10 and a molecular weight of 2117.76 g/mol. Its IUPAC name is (2S)-2-amino-2-phenylethanol;3-bromobutan-2-one;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S,5S)-6-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-5-phenylhexan-3-one;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-phenylethanol;3-bromobutan-2-one;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S,5S)-6-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-5-phenylhexan-3-one;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid
PubChem CID159495668
Molecular FormulaC92H107BrCl2F18N18O10
Molecular Weight2117.76 g/mol
Exact Mass2114.67
IUPAC Name(2S)-2-amino-2-phenylethanol;3-bromobutan-2-one;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S,5S)-6-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-5-phenylhexan-3-one;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid
SMILESCC(=O)C(C)Br.CC(=O)C(C)n1cc(C(F)(F)F)nc1C.CC(C)c1c(N)cnn1-c1ccc(Cl)cc1.Cc1nc(C(F)(F)F)cn1C(C)C(=O)O.Cc1nc(C(F)(F)F)cn1[C@@H](C)C(=O)C[C@H](CO)c1ccccc1.Cc1nc(C(F)(F)F)cn1[C@@H](C)C(=O)Cc1cnn(-c2ccc(Cl)cc2)c1C(C)C.Cc1nc(C(F)(F)F)cn1[C@@H](C)C(=O)O.Cc1ncc(C(F)(F)F)[nH]1.N[C@H](CO)c1ccccc1
InChIInChI=1S/C21H22ClF3N4O.C17H19F3N2O2.C12H14ClN3.C9H11F3N2O.2C8H9F3N2O2.C8H11NO.C5H5F3N2.C4H7BrO/c1-12(2)20-15(10-26-29(20)17-7-5-16(22)6-8-17)9-18(30)13(3)28-11-19(21(23,24)25)27-14(28)4;1-11(22-9-16(17(18,19)20)21-12(22)2)15(24)8-14(10-23)13-6-4-3-5-7-13;1-8(2)12-11(14)7-15-16(12)10-5-3-9(13)4-6-10;1-5(6(2)15)14-4-8(9(10,11)12)13-7(14)3;2*1-4(7(14)15)13-3-6(8(9,10)11)12-5(13)2;9-8(6-10)7-4-2-1-3-5-7;1-3-9-2-4(10-3)5(6,7)8;1-3(5)4(2)6/h5-8,10-13H,9H2,1-4H3;3-7,9,11,14,23H,8,10H2,1-2H3;3-8H,14H2,1-2H3;4-5H,1-3H3;2*3-4H,1-2H3,(H,14,15);1-5,8,10H,6,9H2;2H,1H3,(H,9,10);3H,1-2H3/t13-;11-,14+;;;4-;;8-;;/m00..0.1../s1
InChIKeyLYTCZBDYLMRCCK-KHYNQIIASA-N
XLogP22.13
TPSA388.80 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds23
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002117.76
LogP ≤ 522.13
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-2-phenylethanol;3-bromobutan-2-one;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S,5S)-6-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-5-phenylhexan-3-one;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic 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

(2S)-2-amino-2-phenylethanol;3-bromooxolan-2-one;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-5-hydroxy-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentan-2-one;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)pyrazol-2-ium-1-yl]pyrrolidin-2-one;(2S,5S)-1,7-dihydroxy-5-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-2-phenylheptan-4-one;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one;(3S)-3-[2-methyl-4-(trifluoromethyl)pyrazol-2-ium-1-yl]oxolan-2-one
CID 158697725
(2S)-2-amino-2-phenylethanol;3-bromooxolan-2-one;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-5-hydroxy-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentan-2-one;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;(2S,5S)-1,7-dihydroxy-5-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-2-phenylheptan-4-one;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one;(3S)-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one
CID 158769352
1-bromopropan-2-one;3-bromoprop-1-ene;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;2-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]pent-4-enoic acid;1-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-2-one;4-iodo-2-methyl-5-(trifluoromethyl)-1H-imidazole;methanol;2-methyl-5-(trifluoromethyl)-1H-imidazole;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane
CID 159456683
3-bromo-1-[1-(4-fluorophenyl)-5-propan-2-ylimidazol-4-yl]-7-hydroxyheptan-2-one;3-bromooxepan-2-one;4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazole;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-5-propan-2-ylimidazol-4-yl]-7-hydroxyheptan-2-one;1-(4-fluorophenyl)-5-propan-2-ylimidazol-4-amine
CID 159734728
1-[5-tert-butyl-1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]butan-2-one;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-7-hydroxyheptan-2-one;(3S)-1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[3-methyl-1-(trifluoromethyl)-1,2,4-triazol-4-ium-4-yl]butan-2-one;1-[1-(4-chlorophenyl)-5-propan-2-yltriazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;1-[5-(dimethylamino)-1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one
CID 160287338
1-bromopropan-2-one;3-bromoprop-1-ene;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;2-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1-[3-methyl-1-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyridin-5-yl]ethanone;4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;2-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]pent-4-enoic acid;1-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-2-one;4-iodo-2-methyl-5-(trifluoromethyl)-1H-imidazole;methane;methanol;2-methyl-5-(trifluoromethyl)-1H-imidazole;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane
CID 161740998
1-bromopropan-2-one;3-bromoprop-1-ene;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;2-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1-[3-methyl-1-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyridin-5-yl]ethanone;2-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1-[3-methyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]ethanone;4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;2-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]pent-4-enoic acid;1-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-2-one;4-iodo-2-methyl-5-(trifluoromethyl)-1H-imidazole;methane;methanol;2-methyl-5-(trifluoromethyl)-1H-imidazole;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane
CID 162006624
(2S)-2-amino-2-phenylethanol;3-bromooxolan-2-one;1-(4-chlorophenyl)-2-methyl-5-propan-2-ylpyrazol-2-ium-4-amine;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-5-hydroxy-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentan-2-one;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)pyrazol-2-ium-1-yl]pyrrolidin-2-one;(2S,5S)-1,7-dihydroxy-5-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-2-phenylheptan-4-one;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one;(3S)-3-[2-methyl-4-(trifluoromethyl)pyrazol-2-ium-1-yl]oxolan-2-one
CID 162258574

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-phenylethanol;3-bromobutan-2-one;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S,5S)-6-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-5-phenylhexan-3-one;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid?
The IUPAC name of (2S)-2-amino-2-phenylethanol;3-bromobutan-2-one;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S,5S)-6-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-5-phenylhexan-3-one;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid (CID 159495668) is (2S)-2-amino-2-phenylethanol;3-bromobutan-2-one;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S,5S)-6-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-5-phenylhexan-3-one;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-2-phenylethanol;3-bromobutan-2-one;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S,5S)-6-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-5-phenylhexan-3-one;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid?
The canonical SMILES for (2S)-2-amino-2-phenylethanol;3-bromobutan-2-one;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S,5S)-6-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-5-phenylhexan-3-one;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid is CC(=O)C(C)Br.CC(=O)C(C)n1cc(C(F)(F)F)nc1C.CC(C)c1c(N)cnn1-c1ccc(Cl)cc1.Cc1nc(C(F)(F)F)cn1C(C)C(=O)O.Cc1nc(C(F)(F)F)cn1[C@@H](C)C(=O)C[C@H](CO)c1ccccc1.Cc1nc(C(F)(F)F)cn1[C@@H](C)C(=O)Cc1cnn(-c2ccc(Cl)cc2)c1C(C)C.Cc1nc(C(F)(F)F)cn1[C@@H](C)C(=O)O.Cc1ncc(C(F)(F)F)[nH]1.N[C@H](CO)c1ccccc1.
What is the InChIKey of (2S)-2-amino-2-phenylethanol;3-bromobutan-2-one;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S,5S)-6-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-5-phenylhexan-3-one;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid?
The InChIKey is LYTCZBDYLMRCCK-KHYNQIIASA-N. The full InChI is InChI=1S/C21H22ClF3N4O.C17H19F3N2O2.C12H14ClN3.C9H11F3N2O.2C8H9F3N2O2.C8H11NO.C5H5F3N2.C4H7BrO/c1-12(2)20-15(10-26-29(20)17-7-5-16(22)6-8-17)9-18(30)13(3)28-11-19(21(23,24)25)27-14(28)4;1-11(22-9-16(17(18,19)20)21-12(22)2)15(24)8-14(10-23)13-6-4-3-5-7-13;1-8(2)12-11(14)7-15-16(12)10-5-3-9(13)4-6-10;1-5(6(2)15)14-4-8(9(10,11)12)13-7(14)3;2*1-4(7(14)15)13-3-6(8(9,10)11)12-5(13)2;9-8(6-10)7-4-2-1-3-5-7;1-3-9-2-4(10-3)5(6,7)8;1-3(5)4(2)6/h5-8,10-13H,9H2,1-4H3;3-7,9,11,14,23H,8,10H2,1-2H3;3-8H,14H2,1-2H3;4-5H,1-3H3;2*3-4H,1-2H3,(H,14,15);1-5,8,10H,6,9H2;2H,1H3,(H,9,10);3H,1-2H3/t13-;11-,14+;;;4-;;8-;;/m00..0.1../s1.
What are the key properties of (2S)-2-amino-2-phenylethanol;3-bromobutan-2-one;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S,5S)-6-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-5-phenylhexan-3-one;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid?
(2S)-2-amino-2-phenylethanol;3-bromobutan-2-one;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S,5S)-6-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-5-phenylhexan-3-one;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid has a molecular weight of 2117.76 g/mol, XLogP of 22.13, 23 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-phenylethanol;3-bromobutan-2-one;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S,5S)-6-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-5-phenylhexan-3-one;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(2S)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid is sourced from PubChem (CID 159495668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).