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

C126H118Cl2F2N20O15 — CID 158541032

IUPAC2-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
SMILESCN(C)CCOc1ccc(-c2nc(-c3cc(Cl)cc(C(=O)O)c3)c(-c3ccncc3)[nH]2)cc1.CN(C)CCOc1ccc(-c2nc(-c3cc(F)cc(C(=O)O)c3)c(-c3ccncc3)[nH]2)cc1.CN(C)CCOc1ccc(-c2nc(-c3ccc(Cl)c(C(=O)O)c3)c(-c3ccncc3)[nH]2)cc1.CN(C)CCOc1ccc(-c2nc(-c3ccc(F)c(C(=O)O)c3)c(-c3ccncc3)[nH]2)cc1.Cc1ccc(-c2nc(-c3ccc(OCCN(C)C)cc3)[nH]c2-c2ccncc2)cc1C(=O)O
InChIInChI=1S/C26H26N4O3.2C25H23ClN4O3.2C25H23FN4O3/c1-17-4-5-20(16-22(17)26(31)32)24-23(18-10-12-27-13-11-18)28-25(29-24)19-6-8-21(9-7-19)33-15-14-30(2)3;1-30(2)13-14-33-19-6-3-17(4-7-19)24-28-22(16-9-11-27-12-10-16)23(29-24)18-5-8-21(26)20(15-18)25(31)32;1-30(2)11-12-33-21-5-3-17(4-6-21)24-28-22(16-7-9-27-10-8-16)23(29-24)18-13-19(25(31)32)15-20(26)14-18;1-30(2)13-14-33-19-6-3-17(4-7-19)24-28-22(16-9-11-27-12-10-16)23(29-24)18-5-8-21(26)20(15-18)25(31)32;1-30(2)11-12-33-21-5-3-17(4-6-21)24-28-22(16-7-9-27-10-8-16)23(29-24)18-13-19(25(31)32)15-20(26)14-18/h4-13,16H,14-15H2,1-3H3,(H,28,29)(H,31,32);3-12,15H,13-14H2,1-2H3,(H,28,29)(H,31,32);3-10,13-15H,11-12H2,1-2H3,(H,28,29)(H,31,32);3-12,15H,13-14H2,1-2H3,(H,28,29)(H,31,32);3-10,13-15H,11-12H2,1-2H3,(H,28,29)(H,31,32)
InChIKeyHONFDRUQNYRTMM-UHFFFAOYSA-N
MW2261.36 g/mol
LogP24.11
Rot. Bonds40

About 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

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 (PubChem CID 158541032) has the molecular formula C126H118Cl2F2N20O15 and a molecular weight of 2261.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID158541032
Molecular FormulaC126H118Cl2F2N20O15
Molecular Weight2261.36 g/mol
Exact Mass2258.84
IUPAC Name2-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
SMILESCN(C)CCOc1ccc(-c2nc(-c3cc(Cl)cc(C(=O)O)c3)c(-c3ccncc3)[nH]2)cc1.CN(C)CCOc1ccc(-c2nc(-c3cc(F)cc(C(=O)O)c3)c(-c3ccncc3)[nH]2)cc1.CN(C)CCOc1ccc(-c2nc(-c3ccc(Cl)c(C(=O)O)c3)c(-c3ccncc3)[nH]2)cc1.CN(C)CCOc1ccc(-c2nc(-c3ccc(F)c(C(=O)O)c3)c(-c3ccncc3)[nH]2)cc1.Cc1ccc(-c2nc(-c3ccc(OCCN(C)C)cc3)[nH]c2-c2ccncc2)cc1C(=O)O
InChIInChI=1S/C26H26N4O3.2C25H23ClN4O3.2C25H23FN4O3/c1-17-4-5-20(16-22(17)26(31)32)24-23(18-10-12-27-13-11-18)28-25(29-24)19-6-8-21(9-7-19)33-15-14-30(2)3;1-30(2)13-14-33-19-6-3-17(4-7-19)24-28-22(16-9-11-27-12-10-16)23(29-24)18-5-8-21(26)20(15-18)25(31)32;1-30(2)11-12-33-21-5-3-17(4-6-21)24-28-22(16-7-9-27-10-8-16)23(29-24)18-13-19(25(31)32)15-20(26)14-18;1-30(2)13-14-33-19-6-3-17(4-7-19)24-28-22(16-9-11-27-12-10-16)23(29-24)18-5-8-21(26)20(15-18)25(31)32;1-30(2)11-12-33-21-5-3-17(4-6-21)24-28-22(16-7-9-27-10-8-16)23(29-24)18-13-19(25(31)32)15-20(26)14-18/h4-13,16H,14-15H2,1-3H3,(H,28,29)(H,31,32);3-12,15H,13-14H2,1-2H3,(H,28,29)(H,31,32);3-10,13-15H,11-12H2,1-2H3,(H,28,29)(H,31,32);3-12,15H,13-14H2,1-2H3,(H,28,29)(H,31,32);3-10,13-15H,11-12H2,1-2H3,(H,28,29)(H,31,32)
InChIKeyHONFDRUQNYRTMM-UHFFFAOYSA-N
XLogP24.11
TPSA456.70 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds40
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002261.36
LogP ≤ 524.11
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

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Related Compounds

3-[(1S)-1-aminoethyl]-8-chloro-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one;8-chloro-2-[(4-methoxyphenyl)methyl]-3-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]ethyl]isoquinolin-1-one;6-chloro-9-(oxan-2-yl)purine;methane;2-[(4-methoxyphenyl)methyl]-3-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]ethyl]-8-pyridin-3-ylisoquinolin-1-one;3-[(1S)-1-(7H-purin-6-ylamino)ethyl]-8-pyridin-3-yl-2H-isoquinolin-1-one;pyridin-3-ylboronic acid;2,2,2-trifluoroacetic acid
CID 157219165
bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;bis(1-propan-2-ylcyclopenta-1,3-diene);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 158098105
4-chloro-1,2-dimethylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;cumene;1,2-dimethyl-5-propan-2-ylimidazole;1,2-dimethyl-4-(trifluoromethyl)benzene;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;4-fluoro-1,2-dimethylbenzene;methane;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-4-propan-2-yl-3H-pyrrole;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;bis(1-propan-2-yl-4-(trifluoromethyl)benzene);1,2-xylene
CID 158746608
bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)-3H-pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;2-methyl-4-propan-2-yl-3H-pyrrole;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 160480925
bis(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylcyclopenta-1,3-diene);2-methyl-4-propan-2-yl-3H-pyrrole;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;bis(1-propan-2-ylcyclopenta-1,3-diene);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-3H-pyrrole;bis(1-propan-2-yl-4-(trifluoromethyl)benzene)
CID 160680912
3-[(1S)-1-aminoethyl]-8-chloro-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one;8-chloro-2-[(4-methoxyphenyl)methyl]-3-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]ethyl]isoquinolin-1-one;6-chloro-9-(oxan-2-yl)purine;2-[(4-methoxyphenyl)methyl]-3-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]ethyl]-8-pyridin-3-ylisoquinolin-1-one;3-[(1S)-1-(7H-purin-6-ylamino)ethyl]-8-pyridin-3-yl-2H-isoquinolin-1-one;pyridin-3-ylboronic acid;2,2,2-trifluoroacetic acid
CID 161296769
4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 161353682
4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 161413075
tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;4-fluoro-2-methyl-1-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclopenta-1,3-diene;2-methyl-4-propan-2-yl-3H-pyrrole;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;bis(1-propan-2-ylcyclopenta-1,3-diene);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-3H-pyrrole;bis(1-propan-2-yl-4-(trifluoromethyl)benzene)
CID 161567941
CID 162001811
CID 162001811
3-[4-[2-[[2-[4-[5-(3-carboxy-2-chlorophenyl)-4-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]ethyl-methylamino]methyl]-4-pyridinyl]-2-[4-[2-(dimethylamino)ethoxy]phenyl]-1H-imidazol-5-yl]-2-methylbenzoic acid
CID 123172931
2-chloro-3-[2-[2-(dimethylamino)ethyl]-4-pyridin-4-yl-1H-imidazol-5-yl]benzoic acid;3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-pyridin-4-yl-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-pyridin-4-yl-1H-imidazol-5-yl]-2-methylbenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-5-methylbenzoic acid
CID 157650994

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)CCOc1ccc(-c2nc(-c3cc(Cl)cc(C(=O)O)c3)c(-c3ccncc3)[nH]2)cc1.CN(C)CCOc1ccc(-c2nc(-c3cc(F)cc(C(=O)O)c3)c(-c3ccncc3)[nH]2)cc1.CN(C)CCOc1ccc(-c2nc(-c3ccc(Cl)c(C(=O)O)c3)c(-c3ccncc3)[nH]2)cc1.CN(C)CCOc1ccc(-c2nc(-c3ccc(F)c(C(=O)O)c3)c(-c3ccncc3)[nH]2)cc1.Cc1ccc(-c2nc(-c3ccc(OCCN(C)C)cc3)[nH]c2-c2ccncc2)cc1C(=O)O.
What is the InChIKey of 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?
The InChIKey is HONFDRUQNYRTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3.2C25H23ClN4O3.2C25H23FN4O3/c1-17-4-5-20(16-22(17)26(31)32)24-23(18-10-12-27-13-11-18)28-25(29-24)19-6-8-21(9-7-19)33-15-14-30(2)3;1-30(2)13-14-33-19-6-3-17(4-7-19)24-28-22(16-9-11-27-12-10-16)23(29-24)18-5-8-21(26)20(15-18)25(31)32;1-30(2)11-12-33-21-5-3-17(4-6-21)24-28-22(16-7-9-27-10-8-16)23(29-24)18-13-19(25(31)32)15-20(26)14-18;1-30(2)13-14-33-19-6-3-17(4-7-19)24-28-22(16-9-11-27-12-10-16)23(29-24)18-5-8-21(26)20(15-18)25(31)32;1-30(2)11-12-33-21-5-3-17(4-6-21)24-28-22(16-7-9-27-10-8-16)23(29-24)18-13-19(25(31)32)15-20(26)14-18/h4-13,16H,14-15H2,1-3H3,(H,28,29)(H,31,32);3-12,15H,13-14H2,1-2H3,(H,28,29)(H,31,32);3-10,13-15H,11-12H2,1-2H3,(H,28,29)(H,31,32);3-12,15H,13-14H2,1-2H3,(H,28,29)(H,31,32);3-10,13-15H,11-12H2,1-2H3,(H,28,29)(H,31,32).
What are the key properties of 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?
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 has a molecular weight of 2261.36 g/mol, XLogP of 24.11, 40 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158541032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).