N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-methylcyclohexyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;tris(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-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide

C170H190F8N42O10 — CID 167689885

IUPACN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-methylcyclohexyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;tris(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-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)CC1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CCO)CC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CCO)CC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CCO)CC3)cc2)[nH]1.CC1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ncc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)[nH]2)CC1
InChIInChI=1S/C31H36FN7O.C28H28F3N7O2.3C28H32FN7O2.C27H30FN7O/c1-21-3-11-26(12-4-21)39-20-34-28(22-5-7-23(32)8-6-22)29(39)30-33-19-27(36-30)31(40)35-24-9-13-25(14-10-24)38-17-15-37(2)16-18-38;1-18(39)36-11-13-37(14-12-36)22-9-7-21(8-10-22)34-27(40)23-15-32-26(35-23)25-24(19-3-5-20(29)6-4-19)33-17-38(25)16-28(2,30)31;3*1-19(2)36-18-31-25(20-3-5-21(29)6-4-20)26(36)27-30-17-24(33-27)28(38)32-22-7-9-23(10-8-22)35-13-11-34(12-14-35)15-16-37;1-18(2)35-17-30-24(19-4-6-20(28)7-5-19)25(35)26-29-16-23(32-26)27(36)31-21-8-10-22(11-9-21)34-14-12-33(3)13-15-34/h5-10,13-14,19-21,26H,3-4,11-12,15-18H2,1-2H3,(H,33,36)(H,35,40);3-10,15,17H,11-14,16H2,1-2H3,(H,32,35)(H,34,40);3*3-10,17-19,37H,11-16H2,1-2H3,(H,30,33)(H,32,38);4-11,16-18H,12-15H2,1-3H3,(H,29,32)(H,31,36)
InChIKeyWTRIYCJOTQHCEZ-UHFFFAOYSA-N
MW3133.66 g/mol
LogP27.23
Rot. Bonds43

About N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-methylcyclohexyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;tris(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-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide

N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-methylcyclohexyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;tris(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-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide (PubChem CID 167689885) has the molecular formula C170H190F8N42O10 and a molecular weight of 3133.66 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-methylcyclohexyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;tris(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-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-methylcyclohexyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;tris(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-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide
PubChem CID167689885
Molecular FormulaC170H190F8N42O10
Molecular Weight3133.66 g/mol
Exact Mass3131.55
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-methylcyclohexyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;tris(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-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)CC1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CCO)CC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CCO)CC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CCO)CC3)cc2)[nH]1.CC1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ncc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)[nH]2)CC1
InChIInChI=1S/C31H36FN7O.C28H28F3N7O2.3C28H32FN7O2.C27H30FN7O/c1-21-3-11-26(12-4-21)39-20-34-28(22-5-7-23(32)8-6-22)29(39)30-33-19-27(36-30)31(40)35-24-9-13-25(14-10-24)38-17-15-37(2)16-18-38;1-18(39)36-11-13-37(14-12-36)22-9-7-21(8-10-22)34-27(40)23-15-32-26(35-23)25-24(19-3-5-20(29)6-4-19)33-17-38(25)16-28(2,30)31;3*1-19(2)36-18-31-25(20-3-5-21(29)6-4-20)26(36)27-30-17-24(33-27)28(38)32-22-7-9-23(10-8-22)35-13-11-34(12-14-35)15-16-37;1-18(2)35-17-30-24(19-4-6-20(28)7-5-19)25(35)26-29-16-23(32-26)27(36)31-21-8-10-22(11-9-21)34-14-12-33(3)13-15-34/h5-10,13-14,19-21,26H,3-4,11-12,15-18H2,1-2H3,(H,33,36)(H,35,40);3-10,15,17H,11-14,16H2,1-2H3,(H,32,35)(H,34,40);3*3-10,17-19,37H,11-16H2,1-2H3,(H,30,33)(H,32,38);4-11,16-18H,12-15H2,1-3H3,(H,29,32)(H,31,36)
InChIKeyWTRIYCJOTQHCEZ-UHFFFAOYSA-N
XLogP27.23
TPSA570.24 Ų
H-Bond Donors15
H-Bond Acceptors39
Rotatable Bonds43
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003133.66
LogP ≤ 527.23
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-methylcyclohexyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;tris(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-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide with MolForge

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Related Compounds

2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide
CID 164938203
2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide
CID 164938214
N-[2-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-2-[5-(4-fluorophenyl)-3-(trifluoromethyl)imidazol-4-yl]-1H-imidazole-5-carboxamide
CID 154685920
7-[2-(3-cyclopropylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine;1-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;7-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine;7-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,5-a]pyridine
CID 157129590
8-Benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(piperazine-1-carbonyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrimidin-5-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
CID 157592768
2-[(2R,5R)-2-[(2-chloroimidazol-1-yl)methyl]-5-methylpiperazin-1-yl]-1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]ethanone;2-[(2R,5R)-2-[(2,4-dimethylimidazol-1-yl)methyl]-5-methylpiperazin-1-yl]-1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]ethanone;1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-(imidazol-1-ylmethyl)-5-methylpiperazin-1-yl]ethanone;1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-5-methyl-2-[[2-(trifluoromethyl)imidazol-1-yl]methyl]piperazin-1-yl]ethanone
CID 157670004
(7R)-7-[(2S)-butan-2-yl]-1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-7-cyclopropyl-2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(3,4-difluorophenyl)methyl]-5-ethyl-7,8-dihydroimidazo[2,1-b]purin-4-one;2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(3,4-difluorophenyl)methyl]-5-ethylspiro[8H-imidazo[2,1-b]purine-7,1'-cyclohexane]-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-(4-methylphenyl)-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(3,4-difluorophenyl)methyl]-5-(2-methoxyethyl)-2-(4-phenylphenyl)-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane
CID 157697202
1-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxy-3-methylbutan-1-one;1-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-phenylethanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-phenylmethanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-4-(1H-imidazole-2-carbonyl)-3-methylpiperazin-1-yl]methanone
CID 159033175
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone
CID 159050204
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;N-[2-(dimethylamino)ethyl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-piperazin-1-ylmethanone;[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-piperidin-1-ylmethanone
CID 159671119
N-tert-butyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;N-cyclohexyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;methane;1-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine;N-phenyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;pyridin-2-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone;pyridin-3-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone
CID 159744833
N,N-dicyclopropyl-2-[(3S)-2-[5-[4-[4-[2-[(3S)-1-[2-(dicyclopropylamino)-2-oxoacetyl]-3-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3-methylpyrrolidin-1-yl]-2-oxoacetamide;N,N-dicyclopropyl-2-[(3R)-2-[5-[4-[4-[2-[(3R)-1-[2-(dicyclopropylamino)-2-oxoacetyl]-3-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3-methylpyrrolidin-1-yl]-2-oxoacetamide;1-[(1S)-3-[5-[4-[4-[2-[(5S)-2-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione;1-[(5S)-2-[5-[4-[4-[2-[(5S)-1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoacetyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-methylphenyl]-1H-imidazol-2-yl]-5-methylpyrrolidin-1-yl]-2-(4-fluoro-4-methylpiperidin-1-yl)ethane-1,2-dione
CID 160000264

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-methylcyclohexyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;tris(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-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-methylcyclohexyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;tris(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-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide (CID 167689885) is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-methylcyclohexyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;tris(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-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-methylcyclohexyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;tris(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-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-methylcyclohexyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;tris(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-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide is CC(=O)N1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)CC1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CCO)CC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CCO)CC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CCO)CC3)cc2)[nH]1.CC1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ncc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)[nH]2)CC1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-methylcyclohexyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;tris(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-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide?
The InChIKey is WTRIYCJOTQHCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36FN7O.C28H28F3N7O2.3C28H32FN7O2.C27H30FN7O/c1-21-3-11-26(12-4-21)39-20-34-28(22-5-7-23(32)8-6-22)29(39)30-33-19-27(36-30)31(40)35-24-9-13-25(14-10-24)38-17-15-37(2)16-18-38;1-18(39)36-11-13-37(14-12-36)22-9-7-21(8-10-22)34-27(40)23-15-32-26(35-23)25-24(19-3-5-20(29)6-4-19)33-17-38(25)16-28(2,30)31;3*1-19(2)36-18-31-25(20-3-5-21(29)6-4-20)26(36)27-30-17-24(33-27)28(38)32-22-7-9-23(10-8-22)35-13-11-34(12-14-35)15-16-37;1-18(2)35-17-30-24(19-4-6-20(28)7-5-19)25(35)26-29-16-23(32-26)27(36)31-21-8-10-22(11-9-21)34-14-12-33(3)13-15-34/h5-10,13-14,19-21,26H,3-4,11-12,15-18H2,1-2H3,(H,33,36)(H,35,40);3-10,15,17H,11-14,16H2,1-2H3,(H,32,35)(H,34,40);3*3-10,17-19,37H,11-16H2,1-2H3,(H,30,33)(H,32,38);4-11,16-18H,12-15H2,1-3H3,(H,29,32)(H,31,36).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-methylcyclohexyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;tris(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-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide?
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-methylcyclohexyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;tris(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-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide has a molecular weight of 3133.66 g/mol, XLogP of 27.23, 43 rotatable bonds, 15 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-methylcyclohexyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;tris(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-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 167689885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).