2-bromo-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;2-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;bis(2-methyl-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid);3-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid

C107H77BrFN15O15 — CID 158235714

IUPAC2-bromo-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;2-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;bis(2-methyl-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid);3-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid
SMILESCc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2cc[nH]c(=O)c2)cc1C(=O)O.Cc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2cc[nH]c(=O)c2)cc1C(=O)O.O=C(O)c1cc(-c2nc(-c3ccccc3)[nH]c2-c2cc[nH]c(=O)c2)ccc1Br.O=C(O)c1cc(-c2nc(-c3ccccc3)[nH]c2-c2cc[nH]c(=O)c2)ccc1F.O=C(O)c1cccc(-c2nc(-c3ccccc3)[nH]c2-c2cc[nH]c(=O)c2)c1
InChIInChI=1S/2C22H17N3O3.C21H14BrN3O3.C21H14FN3O3.C21H15N3O3/c2*1-13-7-8-15(11-17(13)22(27)28)19-20(16-9-10-23-18(26)12-16)25-21(24-19)14-5-3-2-4-6-14;2*22-16-7-6-13(10-15(16)21(27)28)18-19(14-8-9-23-17(26)11-14)25-20(24-18)12-4-2-1-3-5-12;25-17-12-15(9-10-22-17)19-18(14-7-4-8-16(11-14)21(26)27)23-20(24-19)13-5-2-1-3-6-13/h2*2-12H,1H3,(H,23,26)(H,24,25)(H,27,28);2*1-11H,(H,23,26)(H,24,25)(H,27,28);1-12H,(H,22,25)(H,23,24)(H,26,27)
InChIKeyGEXYLHABLJANEG-UHFFFAOYSA-N
MW1911.78 g/mol
LogP20.50
Rot. Bonds20

About 2-bromo-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;2-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;bis(2-methyl-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid);3-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid

2-bromo-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;2-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;bis(2-methyl-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid);3-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid (PubChem CID 158235714) has the molecular formula C107H77BrFN15O15 and a molecular weight of 1911.78 g/mol. Its IUPAC name is 2-bromo-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;2-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;bis(2-methyl-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid);3-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid.

Molecular Properties

Compound Name2-bromo-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;2-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;bis(2-methyl-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid);3-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid
PubChem CID158235714
Molecular FormulaC107H77BrFN15O15
Molecular Weight1911.78 g/mol
Exact Mass1909.49
IUPAC Name2-bromo-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;2-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;bis(2-methyl-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid);3-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid
SMILESCc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2cc[nH]c(=O)c2)cc1C(=O)O.Cc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2cc[nH]c(=O)c2)cc1C(=O)O.O=C(O)c1cc(-c2nc(-c3ccccc3)[nH]c2-c2cc[nH]c(=O)c2)ccc1Br.O=C(O)c1cc(-c2nc(-c3ccccc3)[nH]c2-c2cc[nH]c(=O)c2)ccc1F.O=C(O)c1cccc(-c2nc(-c3ccccc3)[nH]c2-c2cc[nH]c(=O)c2)c1
InChIInChI=1S/2C22H17N3O3.C21H14BrN3O3.C21H14FN3O3.C21H15N3O3/c2*1-13-7-8-15(11-17(13)22(27)28)19-20(16-9-10-23-18(26)12-16)25-21(24-19)14-5-3-2-4-6-14;2*22-16-7-6-13(10-15(16)21(27)28)18-19(14-8-9-23-17(26)11-14)25-20(24-18)12-4-2-1-3-5-12;25-17-12-15(9-10-22-17)19-18(14-7-4-8-16(11-14)21(26)27)23-20(24-19)13-5-2-1-3-6-13/h2*2-12H,1H3,(H,23,26)(H,24,25)(H,27,28);2*1-11H,(H,23,26)(H,24,25)(H,27,28);1-12H,(H,22,25)(H,23,24)(H,26,27)
InChIKeyGEXYLHABLJANEG-UHFFFAOYSA-N
XLogP20.50
TPSA494.20 Ų
H-Bond Donors15
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001911.78
LogP ≤ 520.50
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1015

Analyze 2-bromo-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;2-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;bis(2-methyl-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid);3-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid with MolForge

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Related Compounds

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
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-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzaldehyde;[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methanol;tert-butyl N-[[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methyl]-N-methylcarbamate;tert-butyl (2S)-2-[4-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-3-methoxycarbonylphenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate;9-(2-cyclopentyl-1H-imidazol-5-yl)-6-methyl-3-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]-7H-benzo[d][2]benzazepin-5-one;methane;methyl 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzoate;methyl 2-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-(methylaminomethyl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]benzoate
CID 158619903
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
2-chloro-3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;4-chloro-3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-4-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-methylbenzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-4-methylbenzoic acid
CID 159113859
3-chloro-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;2-fluoro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;3-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;2-methyl-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;3-methyl-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid
CID 160127778
2-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(3-methyl-2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid)
CID 160225420
5-(4-bromobenzene-5-id-1-yl)-2-cyclopentyl-1H-imidazole;2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzaldehyde;[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methanol;tert-butyl N-[[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methyl]-N-methylcarbamate;tert-butyl (2S)-2-[4-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-3-methoxycarbonylphenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate;carbanide;cobalt;methyl 2-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-(methylaminomethyl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]benzoate
CID 160845148
2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzaldehyde;[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methanol;tert-butyl N-[[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methyl]-N-methylcarbamate;tert-butyl (2S)-2-[4-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-3-methoxycarbonylphenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate;9-(2-cyclopentyl-1H-imidazol-5-yl)-6-methyl-3-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]-7H-benzo[d][2]benzazepin-5-one;methyl 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzoate;methyl 2-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-(methylaminomethyl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]benzoate
CID 160847314
CID 161281995
CID 161281995

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;2-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;bis(2-methyl-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid);3-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid?
The IUPAC name of 2-bromo-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;2-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;bis(2-methyl-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid);3-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid (CID 158235714) is 2-bromo-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;2-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;bis(2-methyl-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid);3-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid.
What is the SMILES notation for 2-bromo-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;2-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;bis(2-methyl-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid);3-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid?
The canonical SMILES for 2-bromo-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;2-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;bis(2-methyl-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid);3-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid is Cc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2cc[nH]c(=O)c2)cc1C(=O)O.Cc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2cc[nH]c(=O)c2)cc1C(=O)O.O=C(O)c1cc(-c2nc(-c3ccccc3)[nH]c2-c2cc[nH]c(=O)c2)ccc1Br.O=C(O)c1cc(-c2nc(-c3ccccc3)[nH]c2-c2cc[nH]c(=O)c2)ccc1F.O=C(O)c1cccc(-c2nc(-c3ccccc3)[nH]c2-c2cc[nH]c(=O)c2)c1.
What is the InChIKey of 2-bromo-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;2-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;bis(2-methyl-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid);3-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid?
The InChIKey is GEXYLHABLJANEG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H17N3O3.C21H14BrN3O3.C21H14FN3O3.C21H15N3O3/c2*1-13-7-8-15(11-17(13)22(27)28)19-20(16-9-10-23-18(26)12-16)25-21(24-19)14-5-3-2-4-6-14;2*22-16-7-6-13(10-15(16)21(27)28)18-19(14-8-9-23-17(26)11-14)25-20(24-18)12-4-2-1-3-5-12;25-17-12-15(9-10-22-17)19-18(14-7-4-8-16(11-14)21(26)27)23-20(24-19)13-5-2-1-3-6-13/h2*2-12H,1H3,(H,23,26)(H,24,25)(H,27,28);2*1-11H,(H,23,26)(H,24,25)(H,27,28);1-12H,(H,22,25)(H,23,24)(H,26,27).
What are the key properties of 2-bromo-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;2-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;bis(2-methyl-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid);3-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid?
2-bromo-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;2-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;bis(2-methyl-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid);3-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid has a molecular weight of 1911.78 g/mol, XLogP of 20.50, 20 rotatable bonds, 15 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;2-fluoro-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid;bis(2-methyl-5-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid);3-[5-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-4-yl]benzoic acid is sourced from PubChem (CID 158235714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).