pentakis(carbon dioxide);3,4-dimethylaniline;N-(3,4-dimethylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;N-(3-methoxy-4-methylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-[3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethyl]-4-methylphenyl]-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;3-(4-methylimidazol-1-yl)-N-[4-methyl-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]phenyl]-5-(trifluoromethyl)benzamide;2-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]imidazole

C140H130F15N25O17 — CID 161157755

IUPACpentakis(carbon dioxide);3,4-dimethylaniline;N-(3,4-dimethylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;N-(3-methoxy-4-methylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-[3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethyl]-4-methylphenyl]-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;3-(4-methylimidazol-1-yl)-N-[4-methyl-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]phenyl]-5-(trifluoromethyl)benzamide;2-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]imidazole
SMILESCOCc1cc2cc(CCc3cc(NC(=O)c4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)ccc3C)cnc2[nH]1.COCc1cc2cc(N)cnc2[nH]1.COc1cc(NC(=O)c2cc(-n3cnc(C)c3)cc(C(F)(F)F)c2)ccc1C.Cc1cc2cc(N)cnc2[nH]1.Cc1ccc(N)cc1C.Cc1cn(-c2cc(C(=O)Nc3ccc(C)c(C)c3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(C(=O)Nc3ccc(C)c(CCc4cnc5[nH]c(C)cc5c4)c3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cccc(C(F)(F)F)c2)cn1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C30H28F3N5O2.C29H26F3N5O.C20H18F3N3O2.C20H18F3N3O.C11H9F3N2.C9H11N3O.C8H9N3.C8H11N.5CO2/c1-18-4-7-25(10-21(18)6-5-20-8-22-11-26(16-40-3)36-28(22)34-14-20)37-29(39)23-9-24(30(31,32)33)13-27(12-23)38-15-19(2)35-17-38;1-17-4-7-25(11-21(17)6-5-20-9-22-8-18(2)35-27(22)33-14-20)36-28(38)23-10-24(29(30,31)32)13-26(12-23)37-15-19(3)34-16-37;1-12-4-5-16(9-18(12)28-3)25-19(27)14-6-15(20(21,22)23)8-17(7-14)26-10-13(2)24-11-26;1-12-4-5-17(6-13(12)2)25-19(27)15-7-16(20(21,22)23)9-18(8-15)26-10-14(3)24-11-26;1-8-6-16(7-15-8)10-4-2-3-9(5-10)11(12,13)14;1-13-5-8-3-6-2-7(10)4-11-9(6)12-8;1-5-2-6-3-7(9)4-10-8(6)11-5;1-6-3-4-8(9)5-7(6)2;5*2-1-3/h4,7-15,17H,5-6,16H2,1-3H3,(H,34,36)(H,37,39);4,7-16H,5-6H2,1-3H3,(H,33,35)(H,36,38);4-11H,1-3H3,(H,25,27);4-11H,1-3H3,(H,25,27);2-7H,1H3;2-4H,5,10H2,1H3,(H,11,12);2-4H,9H2,1H3,(H,10,11);3-5H,9H2,1-2H3;;;;;
InChIKeyUPNCLHSAZJEGSG-UHFFFAOYSA-N
MW2719.71 g/mol
LogP28.05
Rot. Bonds24

About pentakis(carbon dioxide);3,4-dimethylaniline;N-(3,4-dimethylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;N-(3-methoxy-4-methylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-[3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethyl]-4-methylphenyl]-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;3-(4-methylimidazol-1-yl)-N-[4-methyl-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]phenyl]-5-(trifluoromethyl)benzamide;2-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]imidazole

pentakis(carbon dioxide);3,4-dimethylaniline;N-(3,4-dimethylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;N-(3-methoxy-4-methylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-[3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethyl]-4-methylphenyl]-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;3-(4-methylimidazol-1-yl)-N-[4-methyl-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]phenyl]-5-(trifluoromethyl)benzamide;2-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]imidazole (PubChem CID 161157755) has the molecular formula C140H130F15N25O17 and a molecular weight of 2719.71 g/mol. Its IUPAC name is pentakis(carbon dioxide);3,4-dimethylaniline;N-(3,4-dimethylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;N-(3-methoxy-4-methylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-[3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethyl]-4-methylphenyl]-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;3-(4-methylimidazol-1-yl)-N-[4-methyl-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]phenyl]-5-(trifluoromethyl)benzamide;2-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Namepentakis(carbon dioxide);3,4-dimethylaniline;N-(3,4-dimethylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;N-(3-methoxy-4-methylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-[3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethyl]-4-methylphenyl]-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;3-(4-methylimidazol-1-yl)-N-[4-methyl-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]phenyl]-5-(trifluoromethyl)benzamide;2-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]imidazole
PubChem CID161157755
Molecular FormulaC140H130F15N25O17
Molecular Weight2719.71 g/mol
Exact Mass2717.98
IUPAC Namepentakis(carbon dioxide);3,4-dimethylaniline;N-(3,4-dimethylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;N-(3-methoxy-4-methylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-[3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethyl]-4-methylphenyl]-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;3-(4-methylimidazol-1-yl)-N-[4-methyl-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]phenyl]-5-(trifluoromethyl)benzamide;2-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]imidazole
SMILESCOCc1cc2cc(CCc3cc(NC(=O)c4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)ccc3C)cnc2[nH]1.COCc1cc2cc(N)cnc2[nH]1.COc1cc(NC(=O)c2cc(-n3cnc(C)c3)cc(C(F)(F)F)c2)ccc1C.Cc1cc2cc(N)cnc2[nH]1.Cc1ccc(N)cc1C.Cc1cn(-c2cc(C(=O)Nc3ccc(C)c(C)c3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(C(=O)Nc3ccc(C)c(CCc4cnc5[nH]c(C)cc5c4)c3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cccc(C(F)(F)F)c2)cn1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C30H28F3N5O2.C29H26F3N5O.C20H18F3N3O2.C20H18F3N3O.C11H9F3N2.C9H11N3O.C8H9N3.C8H11N.5CO2/c1-18-4-7-25(10-21(18)6-5-20-8-22-11-26(16-40-3)36-28(22)34-14-20)37-29(39)23-9-24(30(31,32)33)13-27(12-23)38-15-19(2)35-17-38;1-17-4-7-25(11-21(17)6-5-20-9-22-8-18(2)35-27(22)33-14-20)36-28(38)23-10-24(29(30,31)32)13-26(12-23)37-15-19(3)34-16-37;1-12-4-5-16(9-18(12)28-3)25-19(27)14-6-15(20(21,22)23)8-17(7-14)26-10-13(2)24-11-26;1-12-4-5-17(6-13(12)2)25-19(27)15-7-16(20(21,22)23)9-18(8-15)26-10-14(3)24-11-26;1-8-6-16(7-15-8)10-4-2-3-9(5-10)11(12,13)14;1-13-5-8-3-6-2-7(10)4-11-9(6)12-8;1-5-2-6-3-7(9)4-10-8(6)11-5;1-6-3-4-8(9)5-7(6)2;5*2-1-3/h4,7-15,17H,5-6,16H2,1-3H3,(H,34,36)(H,37,39);4,7-16H,5-6H2,1-3H3,(H,33,35)(H,36,38);4-11H,1-3H3,(H,25,27);4-11H,1-3H3,(H,25,27);2-7H,1H3;2-4H,5,10H2,1H3,(H,11,12);2-4H,9H2,1H3,(H,10,11);3-5H,9H2,1-2H3;;;;;
InChIKeyUPNCLHSAZJEGSG-UHFFFAOYSA-N
XLogP28.05
TPSA596.67 Ų
H-Bond Donors11
H-Bond Acceptors34
Rotatable Bonds24
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002719.71
LogP ≤ 528.05
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze pentakis(carbon dioxide);3,4-dimethylaniline;N-(3,4-dimethylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;N-(3-methoxy-4-methylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-[3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethyl]-4-methylphenyl]-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;3-(4-methylimidazol-1-yl)-N-[4-methyl-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]phenyl]-5-(trifluoromethyl)benzamide;2-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]imidazole with MolForge

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Related Compounds

[2-[2-[(3aS,7aR)-6-[7-methoxy-1-methyl-2-[7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-6-yl]benzimidazole-5-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-6-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)methanone
CID 129230255
[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]-[7-methoxy-1-methyl-2-[7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-6-yl]benzimidazol-5-yl]methanone;1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-[7-methoxy-1-methyl-2-[7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-6-yl]benzimidazol-5-yl]methanone
CID 145329766
CID 157290178
CID 157290178
N-methylcarbamoyl chloride;methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[[6-[(2R,5S)-2,5-dimethyl-4-(methylcarbamoyl)piperazin-1-yl]pyridine-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[[6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyridine-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 157409727
3,3-dimethyl-4-[3-(6-methyl-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-1-pyridin-3-ylindol-2-one;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide
CID 157453461
1-butyl-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;1-(3-isoquinolin-7-yl-4-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea;N-(3-isoquinolin-7-yl-4-methylphenyl)-4-(trifluoromethyl)benzamide;N-[4-methyl-3-(7H-purin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 157504220
3-[(3-bromo-6-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl)amino]-4-methyl-N-(3-methylphenyl)benzamide;2-[3-[(3-bromo-6-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl)amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]benzamide;4-methyl-N-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]benzamide;4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 157613639
CID 157671978
CID 157671978
(4R)-4-[(1R)-1-[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3-methylimidazo[4,5-b]pyridin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 157750123
3-[4-(5-cyano-3-pyridinyl)triazol-1-yl]-N-[4-fluoro-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;N-[2-methoxy-3-[[methyl(propan-2-yl)amino]methyl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;N-[2-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 157787399
5-(3-cyclopentylimidazo[1,5-a]pyridin-8-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;N-[3-(1,1-difluoroethoxy)phenyl]-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(2,3,4,6-tetradeuterio-5-methylphenyl)pyridine-3-carboxamide;2-methyl-N-(4-methylphenyl)-5-[3-(oxan-4-yl)imidazo[1,5-a]pyridin-8-yl]pyridine-3-carboxamide
CID 157838085
N-[3-[3-(7H-cyclopenta[b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]prop-2-enamide;N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 158002309

Frequently Asked Questions

What is the IUPAC name of pentakis(carbon dioxide);3,4-dimethylaniline;N-(3,4-dimethylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;N-(3-methoxy-4-methylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-[3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethyl]-4-methylphenyl]-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;3-(4-methylimidazol-1-yl)-N-[4-methyl-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]phenyl]-5-(trifluoromethyl)benzamide;2-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]imidazole?
The IUPAC name of pentakis(carbon dioxide);3,4-dimethylaniline;N-(3,4-dimethylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;N-(3-methoxy-4-methylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-[3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethyl]-4-methylphenyl]-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;3-(4-methylimidazol-1-yl)-N-[4-methyl-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]phenyl]-5-(trifluoromethyl)benzamide;2-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]imidazole (CID 161157755) is pentakis(carbon dioxide);3,4-dimethylaniline;N-(3,4-dimethylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;N-(3-methoxy-4-methylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-[3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethyl]-4-methylphenyl]-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;3-(4-methylimidazol-1-yl)-N-[4-methyl-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]phenyl]-5-(trifluoromethyl)benzamide;2-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for pentakis(carbon dioxide);3,4-dimethylaniline;N-(3,4-dimethylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;N-(3-methoxy-4-methylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-[3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethyl]-4-methylphenyl]-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;3-(4-methylimidazol-1-yl)-N-[4-methyl-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]phenyl]-5-(trifluoromethyl)benzamide;2-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for pentakis(carbon dioxide);3,4-dimethylaniline;N-(3,4-dimethylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;N-(3-methoxy-4-methylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-[3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethyl]-4-methylphenyl]-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;3-(4-methylimidazol-1-yl)-N-[4-methyl-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]phenyl]-5-(trifluoromethyl)benzamide;2-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]imidazole is COCc1cc2cc(CCc3cc(NC(=O)c4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)ccc3C)cnc2[nH]1.COCc1cc2cc(N)cnc2[nH]1.COc1cc(NC(=O)c2cc(-n3cnc(C)c3)cc(C(F)(F)F)c2)ccc1C.Cc1cc2cc(N)cnc2[nH]1.Cc1ccc(N)cc1C.Cc1cn(-c2cc(C(=O)Nc3ccc(C)c(C)c3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(C(=O)Nc3ccc(C)c(CCc4cnc5[nH]c(C)cc5c4)c3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cccc(C(F)(F)F)c2)cn1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of pentakis(carbon dioxide);3,4-dimethylaniline;N-(3,4-dimethylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;N-(3-methoxy-4-methylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-[3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethyl]-4-methylphenyl]-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;3-(4-methylimidazol-1-yl)-N-[4-methyl-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]phenyl]-5-(trifluoromethyl)benzamide;2-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]imidazole?
The InChIKey is UPNCLHSAZJEGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N5O2.C29H26F3N5O.C20H18F3N3O2.C20H18F3N3O.C11H9F3N2.C9H11N3O.C8H9N3.C8H11N.5CO2/c1-18-4-7-25(10-21(18)6-5-20-8-22-11-26(16-40-3)36-28(22)34-14-20)37-29(39)23-9-24(30(31,32)33)13-27(12-23)38-15-19(2)35-17-38;1-17-4-7-25(11-21(17)6-5-20-9-22-8-18(2)35-27(22)33-14-20)36-28(38)23-10-24(29(30,31)32)13-26(12-23)37-15-19(3)34-16-37;1-12-4-5-16(9-18(12)28-3)25-19(27)14-6-15(20(21,22)23)8-17(7-14)26-10-13(2)24-11-26;1-12-4-5-17(6-13(12)2)25-19(27)15-7-16(20(21,22)23)9-18(8-15)26-10-14(3)24-11-26;1-8-6-16(7-15-8)10-4-2-3-9(5-10)11(12,13)14;1-13-5-8-3-6-2-7(10)4-11-9(6)12-8;1-5-2-6-3-7(9)4-10-8(6)11-5;1-6-3-4-8(9)5-7(6)2;5*2-1-3/h4,7-15,17H,5-6,16H2,1-3H3,(H,34,36)(H,37,39);4,7-16H,5-6H2,1-3H3,(H,33,35)(H,36,38);4-11H,1-3H3,(H,25,27);4-11H,1-3H3,(H,25,27);2-7H,1H3;2-4H,5,10H2,1H3,(H,11,12);2-4H,9H2,1H3,(H,10,11);3-5H,9H2,1-2H3;;;;;.
What are the key properties of pentakis(carbon dioxide);3,4-dimethylaniline;N-(3,4-dimethylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;N-(3-methoxy-4-methylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-[3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethyl]-4-methylphenyl]-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;3-(4-methylimidazol-1-yl)-N-[4-methyl-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]phenyl]-5-(trifluoromethyl)benzamide;2-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]imidazole?
pentakis(carbon dioxide);3,4-dimethylaniline;N-(3,4-dimethylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;N-(3-methoxy-4-methylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-[3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethyl]-4-methylphenyl]-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;3-(4-methylimidazol-1-yl)-N-[4-methyl-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]phenyl]-5-(trifluoromethyl)benzamide;2-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]imidazole has a molecular weight of 2719.71 g/mol, XLogP of 28.05, 24 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(carbon dioxide);3,4-dimethylaniline;N-(3,4-dimethylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;N-(3-methoxy-4-methylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-[3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethyl]-4-methylphenyl]-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;3-(4-methylimidazol-1-yl)-N-[4-methyl-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]phenyl]-5-(trifluoromethyl)benzamide;2-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 161157755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).