1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;tris(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-pentan-3-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-propan-2-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;2,2,2-trifluoroacetic acid

C134H160F3N13O18 — CID 176524959

IUPAC1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;tris(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-pentan-3-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-propan-2-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;2,2,2-trifluoroacetic acid
SMILESCCC(CC)c1ccc(CC(=O)c2ncc(C)[nH]2)c(C2=CCCCC2)c1.CCc1ccc(CC(=O)c2ncc(C(C)=O)[nH]2)c(C2=CCCCC2)c1.CCc1ccc(CC(=O)c2ncc(C)[nH]2)c(C2=CCCCC2)c1.Cc1cnc(C(=O)Cc2ccc(C(C)C)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(C(CO)CO)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(CCC(N)=O)cc2C2=CCC(C)(C)CC2)[nH]1.O=C(O)C(F)(F)F.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C23H29N3O2.C23H30N2O.C21H26N2O3.C21H24N2O2.C21H26N2O.C20H24N2O.C2HF3O2.3CO2/c1-15-14-25-22(26-15)20(27)13-18-6-4-16(5-7-21(24)28)12-19(18)17-8-10-23(2,3)11-9-17;1-4-17(5-2)19-11-12-20(14-22(26)23-24-15-16(3)25-23)21(13-19)18-9-7-6-8-10-18;1-14-11-22-21(23-14)20(26)10-17-8-7-16(18(12-24)13-25)9-19(17)15-5-3-2-4-6-15;1-3-15-9-10-17(18(11-15)16-7-5-4-6-8-16)12-20(25)21-22-13-19(23-21)14(2)24;1-14(2)17-9-10-18(12-20(24)21-22-13-15(3)23-21)19(11-17)16-7-5-4-6-8-16;1-3-15-9-10-17(12-19(23)20-21-13-14(2)22-20)18(11-15)16-7-5-4-6-8-16;3-2(4,5)1(6)7;3*2-1-3/h4,6,8,12,14H,5,7,9-11,13H2,1-3H3,(H2,24,28)(H,25,26);9,11-13,15,17H,4-8,10,14H2,1-3H3,(H,24,25);5,7-9,11,18,24-25H,2-4,6,10,12-13H2,1H3,(H,22,23);7,9-11,13H,3-6,8,12H2,1-2H3,(H,22,23);7,9-11,13-14H,4-6,8,12H2,1-3H3,(H,22,23);7,9-11,13H,3-6,8,12H2,1-2H3,(H,21,22);(H,6,7);;;
InChIKeyRMTAXJFRDQELIG-UHFFFAOYSA-N
MW2297.82 g/mol
LogP26.66
Rot. Bonds37

About 1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;tris(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-pentan-3-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-propan-2-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;2,2,2-trifluoroacetic acid

1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;tris(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-pentan-3-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-propan-2-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;2,2,2-trifluoroacetic acid (PubChem CID 176524959) has the molecular formula C134H160F3N13O18 and a molecular weight of 2297.82 g/mol. Its IUPAC name is 1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;tris(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-pentan-3-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-propan-2-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;tris(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-pentan-3-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-propan-2-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;2,2,2-trifluoroacetic acid
PubChem CID176524959
Molecular FormulaC134H160F3N13O18
Molecular Weight2297.82 g/mol
Exact Mass2296.20
IUPAC Name1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;tris(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-pentan-3-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-propan-2-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;2,2,2-trifluoroacetic acid
SMILESCCC(CC)c1ccc(CC(=O)c2ncc(C)[nH]2)c(C2=CCCCC2)c1.CCc1ccc(CC(=O)c2ncc(C(C)=O)[nH]2)c(C2=CCCCC2)c1.CCc1ccc(CC(=O)c2ncc(C)[nH]2)c(C2=CCCCC2)c1.Cc1cnc(C(=O)Cc2ccc(C(C)C)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(C(CO)CO)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(CCC(N)=O)cc2C2=CCC(C)(C)CC2)[nH]1.O=C(O)C(F)(F)F.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C23H29N3O2.C23H30N2O.C21H26N2O3.C21H24N2O2.C21H26N2O.C20H24N2O.C2HF3O2.3CO2/c1-15-14-25-22(26-15)20(27)13-18-6-4-16(5-7-21(24)28)12-19(18)17-8-10-23(2,3)11-9-17;1-4-17(5-2)19-11-12-20(14-22(26)23-24-15-16(3)25-23)21(13-19)18-9-7-6-8-10-18;1-14-11-22-21(23-14)20(26)10-17-8-7-16(18(12-24)13-25)9-19(17)15-5-3-2-4-6-15;1-3-15-9-10-17(18(11-15)16-7-5-4-6-8-16)12-20(25)21-22-13-19(23-21)14(2)24;1-14(2)17-9-10-18(12-20(24)21-22-13-15(3)23-21)19(11-17)16-7-5-4-6-8-16;1-3-15-9-10-17(12-19(23)20-21-13-14(2)22-20)18(11-15)16-7-5-4-6-8-16;3-2(4,5)1(6)7;3*2-1-3/h4,6,8,12,14H,5,7,9-11,13H2,1-3H3,(H2,24,28)(H,25,26);9,11-13,15,17H,4-8,10,14H2,1-3H3,(H,24,25);5,7-9,11,18,24-25H,2-4,6,10,12-13H2,1H3,(H,22,23);7,9-11,13H,3-6,8,12H2,1-2H3,(H,22,23);7,9-11,13-14H,4-6,8,12H2,1-3H3,(H,22,23);7,9-11,13H,3-6,8,12H2,1-2H3,(H,21,22);(H,6,7);;;
InChIKeyRMTAXJFRDQELIG-UHFFFAOYSA-N
XLogP26.66
TPSA514.84 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds37
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002297.82
LogP ≤ 526.66
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

Analyze 1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;tris(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-pentan-3-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-propan-2-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

3-[4-[(5-acetyl-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]propanoic acid;[3-acetyloxy-2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propyl] acetate;N-[4-(3-amino-3-oxopropyl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propanoic acid;2,2,2-trifluoroacetic acid
CID 157121531
tert-butyl (2S)-2-[5-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-(methoxycarbonylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid;methyl N-[2-[(2S)-2-[5-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-(3-methylphenyl)-2-oxoethyl]-N-methylcarbamate
CID 158390662
tert-butyl (2S)-2-[5-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-(methoxycarbonylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid;methyl N-[2-[(2S)-2-[5-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-(3-methylphenyl)-2-oxoethyl]carbamate
CID 161532178
1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;bis(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;2-[2-(cyclohexen-1-yl)-4-pentan-3-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;2,2,2-trifluoroacetic acid
CID 176518595
4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]oxane-4-carboxamide;4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]oxane-4-carboxylic acid;2-[2-(cyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]oxane-4-carboxylic acid
CID 157984324
4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]oxane-4-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]oxane-4-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2H-tetrazol-5-yl)oxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone
CID 159126816
3-[4-[2-(5-acetyl-1H-imidazol-2-yl)-2-oxoethyl]-3-(cyclohexen-1-yl)phenyl]propanoic acid;2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;3-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanoic acid;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide
CID 161098393
1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;bis(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide
CID 176528924

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;tris(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-pentan-3-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-propan-2-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;tris(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-pentan-3-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-propan-2-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;2,2,2-trifluoroacetic acid (CID 176524959) is 1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;tris(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-pentan-3-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-propan-2-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;tris(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-pentan-3-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-propan-2-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;tris(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-pentan-3-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-propan-2-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;2,2,2-trifluoroacetic acid is CCC(CC)c1ccc(CC(=O)c2ncc(C)[nH]2)c(C2=CCCCC2)c1.CCc1ccc(CC(=O)c2ncc(C(C)=O)[nH]2)c(C2=CCCCC2)c1.CCc1ccc(CC(=O)c2ncc(C)[nH]2)c(C2=CCCCC2)c1.Cc1cnc(C(=O)Cc2ccc(C(C)C)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(C(CO)CO)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(CCC(N)=O)cc2C2=CCC(C)(C)CC2)[nH]1.O=C(O)C(F)(F)F.O=C=O.O=C=O.O=C=O.
What is the InChIKey of 1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;tris(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-pentan-3-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-propan-2-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;2,2,2-trifluoroacetic acid?
The InChIKey is RMTAXJFRDQELIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2.C23H30N2O.C21H26N2O3.C21H24N2O2.C21H26N2O.C20H24N2O.C2HF3O2.3CO2/c1-15-14-25-22(26-15)20(27)13-18-6-4-16(5-7-21(24)28)12-19(18)17-8-10-23(2,3)11-9-17;1-4-17(5-2)19-11-12-20(14-22(26)23-24-15-16(3)25-23)21(13-19)18-9-7-6-8-10-18;1-14-11-22-21(23-14)20(26)10-17-8-7-16(18(12-24)13-25)9-19(17)15-5-3-2-4-6-15;1-3-15-9-10-17(18(11-15)16-7-5-4-6-8-16)12-20(25)21-22-13-19(23-21)14(2)24;1-14(2)17-9-10-18(12-20(24)21-22-13-15(3)23-21)19(11-17)16-7-5-4-6-8-16;1-3-15-9-10-17(12-19(23)20-21-13-14(2)22-20)18(11-15)16-7-5-4-6-8-16;3-2(4,5)1(6)7;3*2-1-3/h4,6,8,12,14H,5,7,9-11,13H2,1-3H3,(H2,24,28)(H,25,26);9,11-13,15,17H,4-8,10,14H2,1-3H3,(H,24,25);5,7-9,11,18,24-25H,2-4,6,10,12-13H2,1H3,(H,22,23);7,9-11,13H,3-6,8,12H2,1-2H3,(H,22,23);7,9-11,13-14H,4-6,8,12H2,1-3H3,(H,22,23);7,9-11,13H,3-6,8,12H2,1-2H3,(H,21,22);(H,6,7);;;.
What are the key properties of 1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;tris(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-pentan-3-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-propan-2-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;2,2,2-trifluoroacetic acid?
1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;tris(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-pentan-3-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-propan-2-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;2,2,2-trifluoroacetic acid has a molecular weight of 2297.82 g/mol, XLogP of 26.66, 37 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;tris(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-pentan-3-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-propan-2-ylphenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 176524959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).