5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;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-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide

C129H129F8N27O11 — CID 167630114

IUPAC5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;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-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide
SMILESCC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc(C(=O)Nc2ccc(CCO)cc2)o1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(CCC(=O)O)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(CCO)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(C)C(=O)C3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CC(F)(F)F)CC3)cc2)[nH]1
InChIInChI=1S/C28H29F4N7O.C27H28FN7O2.C25H24FN5O3.C25H24FN3O3.C24H24FN5O2/c1-18(2)39-17-34-24(19-3-5-20(29)6-4-19)25(39)26-33-15-23(36-26)27(40)35-21-7-9-22(10-8-21)38-13-11-37(12-14-38)16-28(30,31)32;1-17(2)35-16-30-24(18-4-6-19(28)7-5-18)25(35)26-29-14-22(32-26)27(37)31-20-8-10-21(11-9-20)34-13-12-33(3)23(36)15-34;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;1-16(2)29-15-27-23(18-5-7-19(26)8-6-18)24(29)21-11-12-22(32-21)25(31)28-20-9-3-17(4-10-20)13-14-30;1-15(2)30-14-27-21(17-5-7-18(25)8-6-17)22(30)23-26-13-20(29-23)24(32)28-19-9-3-16(4-10-19)11-12-31/h3-10,15,17-18H,11-14,16H2,1-2H3,(H,33,36)(H,35,40);4-11,14,16-17H,12-13,15H2,1-3H3,(H,29,32)(H,31,37);3-4,6-11,13-15H,5,12H2,1-2H3,(H,27,30)(H,29,34)(H,32,33);3-12,15-16,30H,13-14H2,1-2H3,(H,28,31);3-10,13-15,31H,11-12H2,1-2H3,(H,26,29)(H,28,32)
InChIKeyNQZDZIGZGPCFFS-UHFFFAOYSA-N
MW2385.61 g/mol
LogP24.48
Rot. Bonds35

About 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;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-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide

5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;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-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide (PubChem CID 167630114) has the molecular formula C129H129F8N27O11 and a molecular weight of 2385.61 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;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-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;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-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide
PubChem CID167630114
Molecular FormulaC129H129F8N27O11
Molecular Weight2385.61 g/mol
Exact Mass2384.02
IUPAC Name5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;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-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide
SMILESCC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc(C(=O)Nc2ccc(CCO)cc2)o1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(CCC(=O)O)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(CCO)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(C)C(=O)C3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CC(F)(F)F)CC3)cc2)[nH]1
InChIInChI=1S/C28H29F4N7O.C27H28FN7O2.C25H24FN5O3.C25H24FN3O3.C24H24FN5O2/c1-18(2)39-17-34-24(19-3-5-20(29)6-4-19)25(39)26-33-15-23(36-26)27(40)35-21-7-9-22(10-8-21)38-13-11-37(12-14-38)16-28(30,31)32;1-17(2)35-16-30-24(18-4-6-19(28)7-5-18)25(35)26-29-14-22(32-26)27(37)31-20-8-10-21(11-9-20)34-13-12-33(3)23(36)15-34;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;1-16(2)29-15-27-23(18-5-7-19(26)8-6-18)24(29)21-11-12-22(32-21)25(31)28-20-9-3-17(4-10-20)13-14-30;1-15(2)30-14-27-21(17-5-7-18(25)8-6-17)22(30)23-26-13-20(29-23)24(32)28-19-9-3-16(4-10-19)11-12-31/h3-10,15,17-18H,11-14,16H2,1-2H3,(H,33,36)(H,35,40);4-11,14,16-17H,12-13,15H2,1-3H3,(H,29,32)(H,31,37);3-4,6-11,13-15H,5,12H2,1-2H3,(H,27,30)(H,29,34)(H,32,33);3-12,15-16,30H,13-14H2,1-2H3,(H,28,31);3-10,13-15,31H,11-12H2,1-2H3,(H,26,29)(H,28,32)
InChIKeyNQZDZIGZGPCFFS-UHFFFAOYSA-N
XLogP24.48
TPSA470.25 Ų
H-Bond Donors12
H-Bond Acceptors27
Rotatable Bonds35
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002385.61
LogP ≤ 524.48
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;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-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide with MolForge

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Related Compounds

N-[4-[5-[1-cyclohexyl-5-[5-[(2-ethylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-2-fluorophenyl]-2-fluorophenyl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
CID 154685900
N-[3-fluoro-1-[3-[[4-(4-fluorophenyl)-5-[5-[(3-fluoro-4-pyridinyl)carbamoyl]furan-2-yl]imidazol-1-yl]methyl]-6-bicyclo[3.2.1]octanyl]pyridin-1-ium-4-yl]-5-[5-(4-fluorophenyl)-3-[(3-methylcycloheptyl)methyl]imidazol-4-yl]furan-2-carboxamide
CID 154686000
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide;5-[3-(2,2-difluorocyclopentyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-5-hydroxy-4-pyridinyl)furan-2-carboxamide;5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide
CID 158282706
5-[3-(2,2-difluorocyclopentyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide;N-(2-fluoro-6-hydroxyphenyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide
CID 158448027
N-(4-acetylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide;5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(4-fluorophenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 158500844
acetic acid;azane;3-(2-but-3-enyl-1H-imidazol-5-yl)-2-methoxyquinoline;2-[[2-but-3-enyl-4-(2-methoxyquinolin-3-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-hydroxy-1-(2-methoxyquinolin-3-yl)ethanone;methane;7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;[2-(2-methoxyquinolin-3-yl)-2-oxoethyl] pent-4-enoate;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;7-[4-(2-methoxyquinolin-3-yl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-1-(1,3-oxazol-2-yl)hept-4-en-1-one;1-(1,3-oxazol-2-yl)pent-4-en-1-one;pent-4-enoic acid;2,2,2-trifluoroacetaldehyde
CID 158741207
Benzyl 5-(1-amino-2-methylindolizine-3-carbonyl)-2-[(2,2,2-trifluoroacetyl)amino]benzoate;3-[2-[2-[[2-(3-carboxyphenoxy)acetyl]amino]ethylamino]-2-oxoethoxy]benzoic acid;methane;methyl 2-amino-5-(1-aminoimidazo[1,5-a]pyridine-3-carbonyl)benzoate;methyl 2-amino-5-[1-[[3-[2-[2-[[2-[3-[[2-methyl-3-[3-phenylmethoxycarbonyl-4-(trifluoromethoxymethylideneamino)benzoyl]indolizin-1-yl]carbamoyl]phenoxy]acetyl]amino]ethylamino]-2-oxoethoxy]benzoyl]amino]imidazo[1,5-a]pyridine-3-carbonyl]benzoate;3-[2-[2-[[2-[3-[[2-methyl-3-[3-phenylmethoxycarbonyl-4-(trifluoromethoxymethylideneamino)benzoyl]indolizin-1-yl]carbamoyl]phenoxy]acetyl]amino]ethylamino]-2-oxoethoxy]benzoic acid
CID 159240990
5-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]furan-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(5-phenyl-2-pyridinyl)furan-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(5-pyridin-4-yl-2-pyridinyl)furan-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]furan-2-carboxamide;2-[3-[3-[5-[[(1S)-1-cyclopropyl-2-oxobutyl]carbamoyl]furan-2-yl]phenyl]propanoyl]imidazo[1,2-a]pyridine-6-carboxylic acid;N-[(1S)-1-cyclopropyl-2-oxobutyl]-5-[3-[3-[6-(2,5-dihydropyrrole-1-carbonyl)imidazo[1,2-a]pyridin-2-yl]-3-oxopropyl]phenyl]furan-2-carboxamide;N-[(1S)-1-cyclopropyl-2-oxobutyl]-5-[3-[3-oxo-3-[6-(3-phenylpropanoyl)imidazo[1,2-a]pyridin-2-yl]propyl]phenyl]furan-2-carboxamide
CID 159680838
4-[[1-(1H-benzimidazol-2-ylmethyl)benzimidazol-2-yl]methyl]morpholine;[4-[[1-(1H-benzimidazol-2-ylmethyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;1-(1H-benzimidazol-2-ylmethyl)-2-(2,5-dihydropyrrol-1-ylmethyl)benzimidazole;1-(1H-benzimidazol-2-ylmethyl)-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzimidazole;methyl 3-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylate
CID 160351649
5-[3-(2,2-difluorocyclopentyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-5-hydroxy-4-pyridinyl)furan-2-carboxamide;5-[3-(2,2-difluorocyclopentyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide;5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide;5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide
CID 161763660
5-[[3-[4-[(2R)-2-benzylpiperazine-1-carbonyl]imidazol-1-yl]-2-oxoazepan-1-yl]methyl]furan-2-carboxylic acid;ethyl 5-[[3-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]-2-oxoazepan-1-yl]methyl]furan-2-carboxylate;2,2,2-trifluoroacetic acid
CID 161999652
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[[3-[5-(4-fluorophenyl)-4-[5-[(4-methylphenyl)-propylcarbamoyl]furan-2-yl]-1H-imidazol-3-ium-3-yl]cyclopentyl]methyl]phenyl]furan-2-carboxamide
CID 163877315

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;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-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;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-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide (CID 167630114) is 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;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-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;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-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;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-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide is CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc(C(=O)Nc2ccc(CCO)cc2)o1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(CCC(=O)O)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(CCO)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(C)C(=O)C3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CC(F)(F)F)CC3)cc2)[nH]1.
What is the InChIKey of 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;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-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide?
The InChIKey is NQZDZIGZGPCFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F4N7O.C27H28FN7O2.C25H24FN5O3.C25H24FN3O3.C24H24FN5O2/c1-18(2)39-17-34-24(19-3-5-20(29)6-4-19)25(39)26-33-15-23(36-26)27(40)35-21-7-9-22(10-8-21)38-13-11-37(12-14-38)16-28(30,31)32;1-17(2)35-16-30-24(18-4-6-19(28)7-5-18)25(35)26-29-14-22(32-26)27(37)31-20-8-10-21(11-9-20)34-13-12-33(3)23(36)15-34;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;1-16(2)29-15-27-23(18-5-7-19(26)8-6-18)24(29)21-11-12-22(32-21)25(31)28-20-9-3-17(4-10-20)13-14-30;1-15(2)30-14-27-21(17-5-7-18(25)8-6-17)22(30)23-26-13-20(29-23)24(32)28-19-9-3-16(4-10-19)11-12-31/h3-10,15,17-18H,11-14,16H2,1-2H3,(H,33,36)(H,35,40);4-11,14,16-17H,12-13,15H2,1-3H3,(H,29,32)(H,31,37);3-4,6-11,13-15H,5,12H2,1-2H3,(H,27,30)(H,29,34)(H,32,33);3-12,15-16,30H,13-14H2,1-2H3,(H,28,31);3-10,13-15,31H,11-12H2,1-2H3,(H,26,29)(H,28,32).
What are the key properties of 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;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-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide?
5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;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-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide has a molecular weight of 2385.61 g/mol, XLogP of 24.48, 35 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;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-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 167630114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).