3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid

C127H121ClF2N20O20 — CID 158122650

IUPAC3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid
SMILESCN(C)CCOc1ccc(-c2nc(-c3cc(Cl)cc(C(=O)O)c3)c(-c3cc[nH]c(=O)c3)[nH]2)cc1.CN(C)CCOc1ccc(-c2nc(-c3cc(F)cc(C(=O)O)c3)c(-c3cc[nH]c(=O)c3)[nH]2)cc1.CN(C)CCOc1ccc(-c2nc(-c3cc[nH]c(=O)c3)c(-c3cccc(C(=O)O)c3F)[nH]2)cc1.Cc1cc(C(=O)O)cc(-c2nc(-c3ccc(OCCN(C)C)cc3)[nH]c2-c2cc[nH]c(=O)c2)c1.Cc1ccc(-c2nc(-c3ccc(OCCN(C)C)cc3)[nH]c2-c2cc[nH]c(=O)c2)cc1C(=O)O
InChIInChI=1S/2C26H26N4O4.C25H23ClN4O4.2C25H23FN4O4/c1-16-12-19(14-20(13-16)26(32)33)24-23(18-8-9-27-22(31)15-18)28-25(29-24)17-4-6-21(7-5-17)34-11-10-30(2)3;1-16-4-5-18(14-21(16)26(32)33)23-24(19-10-11-27-22(31)15-19)29-25(28-23)17-6-8-20(9-7-17)34-13-12-30(2)3;2*1-30(2)9-10-34-20-5-3-15(4-6-20)24-28-22(16-7-8-27-21(31)14-16)23(29-24)17-11-18(25(32)33)13-19(26)12-17;1-30(2)12-13-34-17-8-6-15(7-9-17)24-28-22(16-10-11-27-20(31)14-16)23(29-24)18-4-3-5-19(21(18)26)25(32)33/h4-9,12-15H,10-11H2,1-3H3,(H,27,31)(H,28,29)(H,32,33);4-11,14-15H,12-13H2,1-3H3,(H,27,31)(H,28,29)(H,32,33);2*3-8,11-14H,9-10H2,1-2H3,(H,27,31)(H,28,29)(H,32,33);3-11,14H,12-13H2,1-2H3,(H,27,31)(H,28,29)(H,32,33)
InChIKeyFRUBZODSUMCEIQ-UHFFFAOYSA-N
MW2320.93 g/mol
LogP20.24
Rot. Bonds40

About 3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid

3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid (PubChem CID 158122650) has the molecular formula C127H121ClF2N20O20 and a molecular weight of 2320.93 g/mol. Its IUPAC name is 3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid.

Molecular Properties

Compound Name3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid
PubChem CID158122650
Molecular FormulaC127H121ClF2N20O20
Molecular Weight2320.93 g/mol
Exact Mass2318.87
IUPAC Name3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid
SMILESCN(C)CCOc1ccc(-c2nc(-c3cc(Cl)cc(C(=O)O)c3)c(-c3cc[nH]c(=O)c3)[nH]2)cc1.CN(C)CCOc1ccc(-c2nc(-c3cc(F)cc(C(=O)O)c3)c(-c3cc[nH]c(=O)c3)[nH]2)cc1.CN(C)CCOc1ccc(-c2nc(-c3cc[nH]c(=O)c3)c(-c3cccc(C(=O)O)c3F)[nH]2)cc1.Cc1cc(C(=O)O)cc(-c2nc(-c3ccc(OCCN(C)C)cc3)[nH]c2-c2cc[nH]c(=O)c2)c1.Cc1ccc(-c2nc(-c3ccc(OCCN(C)C)cc3)[nH]c2-c2cc[nH]c(=O)c2)cc1C(=O)O
InChIInChI=1S/2C26H26N4O4.C25H23ClN4O4.2C25H23FN4O4/c1-16-12-19(14-20(13-16)26(32)33)24-23(18-8-9-27-22(31)15-18)28-25(29-24)17-4-6-21(7-5-17)34-11-10-30(2)3;1-16-4-5-18(14-21(16)26(32)33)23-24(19-10-11-27-22(31)15-19)29-25(28-23)17-6-8-20(9-7-17)34-13-12-30(2)3;2*1-30(2)9-10-34-20-5-3-15(4-6-20)24-28-22(16-7-8-27-21(31)14-16)23(29-24)17-11-18(25(32)33)13-19(26)12-17;1-30(2)12-13-34-17-8-6-15(7-9-17)24-28-22(16-10-11-27-20(31)14-16)23(29-24)18-4-3-5-19(21(18)26)25(32)33/h4-9,12-15H,10-11H2,1-3H3,(H,27,31)(H,28,29)(H,32,33);4-11,14-15H,12-13H2,1-3H3,(H,27,31)(H,28,29)(H,32,33);2*3-8,11-14H,9-10H2,1-2H3,(H,27,31)(H,28,29)(H,32,33);3-11,14H,12-13H2,1-2H3,(H,27,31)(H,28,29)(H,32,33)
InChIKeyFRUBZODSUMCEIQ-UHFFFAOYSA-N
XLogP20.24
TPSA556.55 Ų
H-Bond Donors15
H-Bond Acceptors25
Rotatable Bonds40
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002320.93
LogP ≤ 520.24
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1025

Analyze 3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid with MolForge

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Related Compounds

5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-(trifluoromethyl)benzoic acid
CID 68273320
5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-(trifluoromethyl)benzoic acid;ethane
CID 144219962
4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-chlorophenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[4,5-bis(2-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]butan-1-one;4-[[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-N-methylbenzamide;1-[4-[[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]-4-methoxybutan-1-one;2-methoxyethyl 4-[[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzoate;methyl 4-[[4-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzoate
CID 160988753
3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid
CID 68273960
2-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-fluoro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;methane;2-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid
CID 157055927
3-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]ethyl]amino]methyl]benzoic acid;5-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(5-phenyl-1H-imidazol-2-yl)methyl]amino]methyl]-2-methoxybenzoic acid;5-[[[(2S)-2-amino-3-(4-carbamoylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-methoxybenzoic acid;4-[(2S)-2-amino-3-[[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]methyl-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-oxopropyl]-3,5-dimethylbenzamide
CID 157615206
3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid
CID 158188170
2-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-fluoro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;2-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid
CID 158277279
2-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]benzoic acid;3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-5-fluorobenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluorobenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-methylbenzoic acid
CID 158541032
2-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid)
CID 158558695
2-[4-[[5-acetamido-2-(4-chlorophenyl)phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;2-[4-[[2-(4-chlorophenyl)-5-(methylcarbamoyl)phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;2-[4-[[2-(4-chlorophenyl)-5-(propylamino)phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;1-cyclohexyl-2-[4-[[5-methoxy-2-[(E)-prop-1-enyl]phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid;1-cyclohexyl-2-[4-[(5-methoxy-2-propylphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid;1-[1-cyclohexyl-2-(4-phenylmethoxyphenyl)benzimidazol-5-yl]-N-methylethanamine
CID 158601935
3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid
CID 158941041

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid?
The IUPAC name of 3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid (CID 158122650) is 3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid.
What is the SMILES notation for 3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid?
The canonical SMILES for 3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid is CN(C)CCOc1ccc(-c2nc(-c3cc(Cl)cc(C(=O)O)c3)c(-c3cc[nH]c(=O)c3)[nH]2)cc1.CN(C)CCOc1ccc(-c2nc(-c3cc(F)cc(C(=O)O)c3)c(-c3cc[nH]c(=O)c3)[nH]2)cc1.CN(C)CCOc1ccc(-c2nc(-c3cc[nH]c(=O)c3)c(-c3cccc(C(=O)O)c3F)[nH]2)cc1.Cc1cc(C(=O)O)cc(-c2nc(-c3ccc(OCCN(C)C)cc3)[nH]c2-c2cc[nH]c(=O)c2)c1.Cc1ccc(-c2nc(-c3ccc(OCCN(C)C)cc3)[nH]c2-c2cc[nH]c(=O)c2)cc1C(=O)O.
What is the InChIKey of 3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid?
The InChIKey is FRUBZODSUMCEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H26N4O4.C25H23ClN4O4.2C25H23FN4O4/c1-16-12-19(14-20(13-16)26(32)33)24-23(18-8-9-27-22(31)15-18)28-25(29-24)17-4-6-21(7-5-17)34-11-10-30(2)3;1-16-4-5-18(14-21(16)26(32)33)23-24(19-10-11-27-22(31)15-19)29-25(28-23)17-6-8-20(9-7-17)34-13-12-30(2)3;2*1-30(2)9-10-34-20-5-3-15(4-6-20)24-28-22(16-7-8-27-21(31)14-16)23(29-24)17-11-18(25(32)33)13-19(26)12-17;1-30(2)12-13-34-17-8-6-15(7-9-17)24-28-22(16-10-11-27-20(31)14-16)23(29-24)18-4-3-5-19(21(18)26)25(32)33/h4-9,12-15H,10-11H2,1-3H3,(H,27,31)(H,28,29)(H,32,33);4-11,14-15H,12-13H2,1-3H3,(H,27,31)(H,28,29)(H,32,33);2*3-8,11-14H,9-10H2,1-2H3,(H,27,31)(H,28,29)(H,32,33);3-11,14H,12-13H2,1-2H3,(H,27,31)(H,28,29)(H,32,33).
What are the key properties of 3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid?
3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid has a molecular weight of 2320.93 g/mol, XLogP of 20.24, 40 rotatable bonds, 15 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid is sourced from PubChem (CID 158122650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).