2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3,5-di(propan-2-yl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[1-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[4-(4-fluorophenyl)-1H-imidazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-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

C132H144F7N35O7 — CID 167684780

IUPAC2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3,5-di(propan-2-yl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[1-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[4-(4-fluorophenyl)-1H-imidazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-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
SMILESCC(C)c1ncn(C(C)C)c1-c1ncc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)[nH]1.CC(F)n1cnc(-c2ncc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)[nH]2)c1-c1ccc(F)cc1.CC1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ncc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)[nH]2)CC1.CN1CCN(c2ccc(NC(=O)c3cnc(-c4[nH]cnc4-c4ccc(F)cc4)[nH]3)cc2)CC1.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)C(=O)C1=O
InChIInChI=1S/C31H36FN7O.C27H24F3N7O3.C26H27F2N7O.C24H24FN7O.C24H33N7O/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;1-27(29,30)14-36-15-32-21(16-3-5-17(28)6-4-16)22(36)23-31-13-20(34-23)24(38)33-18-7-9-19(10-8-18)37-12-11-35(2)25(39)26(37)40;1-17(27)35-16-30-23(24(35)18-3-5-19(28)6-4-18)25-29-15-22(32-25)26(36)31-20-7-9-21(10-8-20)34-13-11-33(2)12-14-34;1-31-10-12-32(13-11-31)19-8-6-18(7-9-19)29-24(33)20-14-26-23(30-20)22-21(27-15-28-22)16-2-4-17(25)5-3-16;1-16(2)21-22(31(15-26-21)17(3)4)23-25-14-20(28-23)24(32)27-18-6-8-19(9-7-18)30-12-10-29(5)11-13-30/h5-10,13-14,19-21,26H,3-4,11-12,15-18H2,1-2H3,(H,33,36)(H,35,40);3-10,13,15H,11-12,14H2,1-2H3,(H,31,34)(H,33,38);3-10,15-17H,11-14H2,1-2H3,(H,29,32)(H,31,36);2-9,14-15H,10-13H2,1H3,(H,26,30)(H,27,28)(H,29,33);6-9,14-17H,10-13H2,1-5H3,(H,25,28)(H,27,32)
InChIKeyWBEDXSGDUOFWJH-UHFFFAOYSA-N
MW2465.83 g/mol
LogP21.79
Rot. Bonds30

About 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3,5-di(propan-2-yl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[1-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[4-(4-fluorophenyl)-1H-imidazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-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

2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3,5-di(propan-2-yl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[1-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[4-(4-fluorophenyl)-1H-imidazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-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 (PubChem CID 167684780) has the molecular formula C132H144F7N35O7 and a molecular weight of 2465.83 g/mol. Its IUPAC name is 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3,5-di(propan-2-yl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[1-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[4-(4-fluorophenyl)-1H-imidazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-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.

Molecular Properties

Compound Name2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3,5-di(propan-2-yl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[1-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[4-(4-fluorophenyl)-1H-imidazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-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
PubChem CID167684780
Molecular FormulaC132H144F7N35O7
Molecular Weight2465.83 g/mol
Exact Mass2464.19
IUPAC Name2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3,5-di(propan-2-yl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[1-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[4-(4-fluorophenyl)-1H-imidazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-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
SMILESCC(C)c1ncn(C(C)C)c1-c1ncc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)[nH]1.CC(F)n1cnc(-c2ncc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)[nH]2)c1-c1ccc(F)cc1.CC1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ncc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)[nH]2)CC1.CN1CCN(c2ccc(NC(=O)c3cnc(-c4[nH]cnc4-c4ccc(F)cc4)[nH]3)cc2)CC1.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)C(=O)C1=O
InChIInChI=1S/C31H36FN7O.C27H24F3N7O3.C26H27F2N7O.C24H24FN7O.C24H33N7O/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;1-27(29,30)14-36-15-32-21(16-3-5-17(28)6-4-16)22(36)23-31-13-20(34-23)24(38)33-18-7-9-19(10-8-18)37-12-11-35(2)25(39)26(37)40;1-17(27)35-16-30-23(24(35)18-3-5-19(28)6-4-18)25-29-15-22(32-25)26(36)31-20-7-9-21(10-8-20)34-13-11-33(2)12-14-34;1-31-10-12-32(13-11-31)19-8-6-18(7-9-19)29-24(33)20-14-26-23(30-20)22-21(27-15-28-22)16-2-4-17(25)5-3-16;1-16(2)21-22(31(15-26-21)17(3)4)23-25-14-20(28-23)24(32)27-18-6-8-19(9-7-18)30-12-10-29(5)11-13-30/h5-10,13-14,19-21,26H,3-4,11-12,15-18H2,1-2H3,(H,33,36)(H,35,40);3-10,13,15H,11-12,14H2,1-2H3,(H,31,34)(H,33,38);3-10,15-17H,11-14H2,1-2H3,(H,29,32)(H,31,36);2-9,14-15H,10-13H2,1H3,(H,26,30)(H,27,28)(H,29,33);6-9,14-17H,10-13H2,1-5H3,(H,25,28)(H,27,32)
InChIKeyWBEDXSGDUOFWJH-UHFFFAOYSA-N
XLogP21.79
TPSA455.40 Ų
H-Bond Donors11
H-Bond Acceptors29
Rotatable Bonds30
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002465.83
LogP ≤ 521.79
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3,5-di(propan-2-yl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[1-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[4-(4-fluorophenyl)-1H-imidazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-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 with MolForge

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Related Compounds

N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-1H-imidazole-5-carboxamide
CID 164938159
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 164938165
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 164938187
2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide
CID 164938191
2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]-1H-imidazole-5-carboxamide
CID 164938193
4-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]piperazine-1-carboxamide
CID 164938199
(2S)-3-methyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-3-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butan-1-one
CID 25229715
methyl N-[(1R)-2-[(2S)-2-[5-[3,5-difluoro-4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-(pyridine-3-carbonylamino)acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]piperidin-1-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 46244035
methyl N-[(2S)-1-[(2S)-2-[5-[4-[(2R)-1-[3,5-difluoro-4-(4-phenylpiperidin-1-yl)phenyl]-5-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrrolidin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58032032
methyl N-[(2S)-1-[(2S)-2-[6-[(2R,5R)-1-[3,5-difluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]-5-[6-fluoro-2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-5-fluoro-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58032105
methyl N-[(2S)-1-[(2S)-2-[5-[4-[(5R)-1-[3,5-difluoro-4-(4-phenylpiperidin-1-yl)phenyl]-5-[4-[2-[1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrrolidin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58403879
methyl N-[(1R)-2-[(2S)-2-[5-[3,5-difluoro-4-[4-[2-[(2S)-1-[(2R)-2-[(1-methylimidazole-2-carbonyl)amino]-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]piperidin-1-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 58449839

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3,5-di(propan-2-yl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[1-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[4-(4-fluorophenyl)-1H-imidazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-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?
The IUPAC name of 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3,5-di(propan-2-yl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[1-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[4-(4-fluorophenyl)-1H-imidazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-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 (CID 167684780) is 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3,5-di(propan-2-yl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[1-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[4-(4-fluorophenyl)-1H-imidazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-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.
What is the SMILES notation for 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3,5-di(propan-2-yl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[1-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[4-(4-fluorophenyl)-1H-imidazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-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?
The canonical SMILES for 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3,5-di(propan-2-yl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[1-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[4-(4-fluorophenyl)-1H-imidazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-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 is CC(C)c1ncn(C(C)C)c1-c1ncc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)[nH]1.CC(F)n1cnc(-c2ncc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)[nH]2)c1-c1ccc(F)cc1.CC1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ncc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)[nH]2)CC1.CN1CCN(c2ccc(NC(=O)c3cnc(-c4[nH]cnc4-c4ccc(F)cc4)[nH]3)cc2)CC1.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)C(=O)C1=O.
What is the InChIKey of 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3,5-di(propan-2-yl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[1-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[4-(4-fluorophenyl)-1H-imidazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-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?
The InChIKey is WBEDXSGDUOFWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36FN7O.C27H24F3N7O3.C26H27F2N7O.C24H24FN7O.C24H33N7O/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;1-27(29,30)14-36-15-32-21(16-3-5-17(28)6-4-16)22(36)23-31-13-20(34-23)24(38)33-18-7-9-19(10-8-18)37-12-11-35(2)25(39)26(37)40;1-17(27)35-16-30-23(24(35)18-3-5-19(28)6-4-18)25-29-15-22(32-25)26(36)31-20-7-9-21(10-8-20)34-13-11-33(2)12-14-34;1-31-10-12-32(13-11-31)19-8-6-18(7-9-19)29-24(33)20-14-26-23(30-20)22-21(27-15-28-22)16-2-4-17(25)5-3-16;1-16(2)21-22(31(15-26-21)17(3)4)23-25-14-20(28-23)24(32)27-18-6-8-19(9-7-18)30-12-10-29(5)11-13-30/h5-10,13-14,19-21,26H,3-4,11-12,15-18H2,1-2H3,(H,33,36)(H,35,40);3-10,13,15H,11-12,14H2,1-2H3,(H,31,34)(H,33,38);3-10,15-17H,11-14H2,1-2H3,(H,29,32)(H,31,36);2-9,14-15H,10-13H2,1H3,(H,26,30)(H,27,28)(H,29,33);6-9,14-17H,10-13H2,1-5H3,(H,25,28)(H,27,32).
What are the key properties of 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3,5-di(propan-2-yl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[1-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[4-(4-fluorophenyl)-1H-imidazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-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?
2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3,5-di(propan-2-yl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[1-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[4-(4-fluorophenyl)-1H-imidazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-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 has a molecular weight of 2465.83 g/mol, XLogP of 21.79, 30 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3,5-di(propan-2-yl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[1-(1-fluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[4-(4-fluorophenyl)-1H-imidazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-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 is sourced from PubChem (CID 167684780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).