3-[4-[[2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]benzoic acid

C130H131ClF9N31O9 — CID 167693750

IUPAC3-[4-[[2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]benzoic acid
SMILESCC(C)n1cnc(-c2ccc(Cl)cc2)c1-c1ncc(C(=O)Nc2ccc(CCC(=O)O)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(C(=O)O)cc2)[nH]1.CC(F)(F)Cn1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CC(F)(F)F)CC3)cc2)[nH]1.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4C)[nH]3)cc2)CC1.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(C)C)[nH]3)cc2)CC1
InChIInChI=1S/C29H34FN7O.C28H27F6N7O.C25H24ClN5O3.C25H26FN7O.C23H20FN5O3/c1-29(2,3)18-37-19-32-25(20-5-7-21(30)8-6-20)26(37)27-31-17-24(34-27)28(38)33-22-9-11-23(12-10-22)36-15-13-35(4)14-16-36;1-27(30,31)15-41-17-36-23(18-2-4-19(29)5-3-18)24(41)25-35-14-22(38-25)26(42)37-20-6-8-21(9-7-20)40-12-10-39(11-13-40)16-28(32,33)34;1-15(2)31-14-28-22(17-6-8-18(26)9-7-17)23(31)24-27-13-20(30-24)25(34)29-19-10-3-16(4-11-19)5-12-21(32)33;1-31-11-13-33(14-12-31)20-9-7-19(8-10-20)29-25(34)21-15-27-24(30-21)23-22(28-16-32(23)2)17-3-5-18(26)6-4-17;1-13(2)29-12-26-19(14-3-7-16(24)8-4-14)20(29)21-25-11-18(28-21)22(30)27-17-9-5-15(6-10-17)23(31)32/h5-12,17,19H,13-16,18H2,1-4H3,(H,31,34)(H,33,38);2-9,14,17H,10-13,15-16H2,1H3,(H,35,38)(H,37,42);3-4,6-11,13-15H,5,12H2,1-2H3,(H,27,30)(H,29,34)(H,32,33);3-10,15-16H,11-14H2,1-2H3,(H,27,30)(H,29,34);3-13H,1-2H3,(H,25,28)(H,27,30)(H,31,32)
InChIKeyXILWCTKGFVVMID-UHFFFAOYSA-N
MW2478.12 g/mol
LogP24.48
Rot. Bonds33

About 3-[4-[[2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]benzoic acid

3-[4-[[2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]benzoic acid (PubChem CID 167693750) has the molecular formula C130H131ClF9N31O9 and a molecular weight of 2478.12 g/mol. Its IUPAC name is 3-[4-[[2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[4-[[2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]benzoic acid
PubChem CID167693750
Molecular FormulaC130H131ClF9N31O9
Molecular Weight2478.12 g/mol
Exact Mass2476.03
IUPAC Name3-[4-[[2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]benzoic acid
SMILESCC(C)n1cnc(-c2ccc(Cl)cc2)c1-c1ncc(C(=O)Nc2ccc(CCC(=O)O)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(C(=O)O)cc2)[nH]1.CC(F)(F)Cn1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CC(F)(F)F)CC3)cc2)[nH]1.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4C)[nH]3)cc2)CC1.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(C)C)[nH]3)cc2)CC1
InChIInChI=1S/C29H34FN7O.C28H27F6N7O.C25H24ClN5O3.C25H26FN7O.C23H20FN5O3/c1-29(2,3)18-37-19-32-25(20-5-7-21(30)8-6-20)26(37)27-31-17-24(34-27)28(38)33-22-9-11-23(12-10-22)36-15-13-35(4)14-16-36;1-27(30,31)15-41-17-36-23(18-2-4-19(29)5-3-18)24(41)25-35-14-22(38-25)26(42)37-20-6-8-21(9-7-20)40-12-10-39(11-13-40)16-28(32,33)34;1-15(2)31-14-28-22(17-6-8-18(26)9-7-17)23(31)24-27-13-20(30-24)25(34)29-19-10-3-16(4-11-19)5-12-21(32)33;1-31-11-13-33(14-12-31)20-9-7-19(8-10-20)29-25(34)21-15-27-24(30-21)23-22(28-16-32(23)2)17-3-5-18(26)6-4-17;1-13(2)29-12-26-19(14-3-7-16(24)8-4-14)20(29)21-25-11-18(28-21)22(30)27-17-9-5-15(6-10-17)23(31)32/h5-12,17,19H,13-16,18H2,1-4H3,(H,31,34)(H,33,38);2-9,14,17H,10-13,15-16H2,1H3,(H,35,38)(H,37,42);3-4,6-11,13-15H,5,12H2,1-2H3,(H,27,30)(H,29,34)(H,32,33);3-10,15-16H,11-14H2,1-2H3,(H,27,30)(H,29,34);3-13H,1-2H3,(H,25,28)(H,27,30)(H,31,32)
InChIKeyXILWCTKGFVVMID-UHFFFAOYSA-N
XLogP24.48
TPSA472.04 Ų
H-Bond Donors12
H-Bond Acceptors28
Rotatable Bonds33
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002478.12
LogP ≤ 524.48
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-[4-[[2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]benzoic 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

2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide
CID 164938170
2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide
CID 164938183
N-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-hydroxy-4-methylpiperazin-4-ium-1-yl)phenyl]-1H-imidazole-5-carboxamide;5-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]pentanoic acid;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide
CID 167547229
methyl 3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoate
CID 164938163
potassium;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylic acid;hydride;methane;4-(4-methylpiperazin-1-yl)aniline
CID 167685500
2-[5-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide
CID 164938182
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-sulfamoylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide
CID 167560802
5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide;bis(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide);6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-sulfamoylpiperazin-1-yl)phenyl]pyridine-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide
CID 167682277
azane;deuterio(fluoro)methane;ethyl 2-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate;ethyl 2-[4-(4-fluorophenyl)-1H-imidazol-5-yl]-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate;ethyl 2-formyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate;[2-(4-fluorophenyl)-2-(4-methylphenyl)sulfinylethylidene]azanium;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;1-[2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethanone;methane;2,2,2-trifluoroethyl trifluoromethanesulfonate;dihydrate
CID 167618876
5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 56654101
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide
CID 42850972
N-(4-acetyl-2-chlorophenyl)-2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-3H-pyrrole-4-carboxamide;2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-N-(2-fluoro-4-piperidin-1-ylphenyl)-3H-pyrrole-4-carboxamide;3-[4-[2-[2-[5-(4-fluorophenyl)-3-methoxyimidazol-4-yl]-1H-imidazol-5-yl]-2-oxoethyl]-3-methoxyphenyl]propanoic acid
CID 159759767

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]benzoic acid?
The IUPAC name of 3-[4-[[2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]benzoic acid (CID 167693750) is 3-[4-[[2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]benzoic acid.
What is the SMILES notation for 3-[4-[[2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]benzoic acid?
The canonical SMILES for 3-[4-[[2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]benzoic acid is CC(C)n1cnc(-c2ccc(Cl)cc2)c1-c1ncc(C(=O)Nc2ccc(CCC(=O)O)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(C(=O)O)cc2)[nH]1.CC(F)(F)Cn1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CC(F)(F)F)CC3)cc2)[nH]1.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4C)[nH]3)cc2)CC1.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(C)C)[nH]3)cc2)CC1.
What is the InChIKey of 3-[4-[[2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]benzoic acid?
The InChIKey is XILWCTKGFVVMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN7O.C28H27F6N7O.C25H24ClN5O3.C25H26FN7O.C23H20FN5O3/c1-29(2,3)18-37-19-32-25(20-5-7-21(30)8-6-20)26(37)27-31-17-24(34-27)28(38)33-22-9-11-23(12-10-22)36-15-13-35(4)14-16-36;1-27(30,31)15-41-17-36-23(18-2-4-19(29)5-3-18)24(41)25-35-14-22(38-25)26(42)37-20-6-8-21(9-7-20)40-12-10-39(11-13-40)16-28(32,33)34;1-15(2)31-14-28-22(17-6-8-18(26)9-7-17)23(31)24-27-13-20(30-24)25(34)29-19-10-3-16(4-11-19)5-12-21(32)33;1-31-11-13-33(14-12-31)20-9-7-19(8-10-20)29-25(34)21-15-27-24(30-21)23-22(28-16-32(23)2)17-3-5-18(26)6-4-17;1-13(2)29-12-26-19(14-3-7-16(24)8-4-14)20(29)21-25-11-18(28-21)22(30)27-17-9-5-15(6-10-17)23(31)32/h5-12,17,19H,13-16,18H2,1-4H3,(H,31,34)(H,33,38);2-9,14,17H,10-13,15-16H2,1H3,(H,35,38)(H,37,42);3-4,6-11,13-15H,5,12H2,1-2H3,(H,27,30)(H,29,34)(H,32,33);3-10,15-16H,11-14H2,1-2H3,(H,27,30)(H,29,34);3-13H,1-2H3,(H,25,28)(H,27,30)(H,31,32).
What are the key properties of 3-[4-[[2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]benzoic acid?
3-[4-[[2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]benzoic acid has a molecular weight of 2478.12 g/mol, XLogP of 24.48, 33 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]benzoic acid is sourced from PubChem (CID 167693750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).