N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-(pyrimidin-2-ylamino)benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-piperazin-1-ylphenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzamide

C172H149F12N41O6 — CID 161103271

IUPACN-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-(pyrimidin-2-ylamino)benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-piperazin-1-ylphenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2cc(-n3ccnc3)cc(C(F)(F)F)c2)cc1Nc1nccc(-c2ccccc2)n1.Cc1ccc(C(=O)Nc2cc(-n3ccnc3)cc(C(F)(F)F)c2)cc1Nc1ncccn1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccccc5)n4)c3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccccc5)n4)c3)cc(N3CCN(C)CC3)c2)cn1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccccc5)n4)c3)cc(N3CCNCC3)c2)cn1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccccn5)n4)c3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C33H34N8O.C32H32N8O.C29H23F3N6O.C28H22F3N7O.C28H21F3N6O.C22H17F3N6O/c1-23-9-10-26(17-31(23)38-33-34-12-11-30(37-33)25-7-5-4-6-8-25)32(42)36-27-18-28(40-15-13-39(3)14-16-40)20-29(19-27)41-21-24(2)35-22-41;1-22-8-9-25(16-30(22)38-32-34-11-10-29(37-32)24-6-4-3-5-7-24)31(41)36-26-17-27(39-14-12-33-13-15-39)19-28(18-26)40-20-23(2)35-21-40;1-18-8-9-21(12-26(18)37-28-33-11-10-25(36-28)20-6-4-3-5-7-20)27(39)35-23-13-22(29(30,31)32)14-24(15-23)38-16-19(2)34-17-38;1-17-6-7-19(11-25(17)37-27-33-10-8-24(36-27)23-5-3-4-9-32-23)26(39)35-21-12-20(28(29,30)31)13-22(14-21)38-15-18(2)34-16-38;1-18-7-8-20(13-25(18)36-27-33-10-9-24(35-27)19-5-3-2-4-6-19)26(38)34-22-14-21(28(29,30)31)15-23(16-22)37-12-11-32-17-37;1-14-3-4-15(9-19(14)30-21-27-5-2-6-28-21)20(32)29-17-10-16(22(23,24)25)11-18(12-17)31-8-7-26-13-31/h4-12,17-22H,13-16H2,1-3H3,(H,36,42)(H,34,37,38);3-11,16-21,33H,12-15H2,1-2H3,(H,36,41)(H,34,37,38);3-17H,1-2H3,(H,35,39)(H,33,36,37);3-16H,1-2H3,(H,35,39)(H,33,36,37);2-17H,1H3,(H,34,38)(H,33,35,36);2-13H,1H3,(H,29,32)(H,27,28,30)
InChIKeyUISGDRAWVNGILK-UHFFFAOYSA-N
MW3114.34 g/mol
LogP36.00
Rot. Bonds37

About N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-(pyrimidin-2-ylamino)benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-piperazin-1-ylphenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzamide

N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-(pyrimidin-2-ylamino)benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-piperazin-1-ylphenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzamide (PubChem CID 161103271) has the molecular formula C172H149F12N41O6 and a molecular weight of 3114.34 g/mol. Its IUPAC name is N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-(pyrimidin-2-ylamino)benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-piperazin-1-ylphenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-(pyrimidin-2-ylamino)benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-piperazin-1-ylphenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzamide
PubChem CID161103271
Molecular FormulaC172H149F12N41O6
Molecular Weight3114.34 g/mol
Exact Mass3112.24
IUPAC NameN-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-(pyrimidin-2-ylamino)benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-piperazin-1-ylphenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2cc(-n3ccnc3)cc(C(F)(F)F)c2)cc1Nc1nccc(-c2ccccc2)n1.Cc1ccc(C(=O)Nc2cc(-n3ccnc3)cc(C(F)(F)F)c2)cc1Nc1ncccn1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccccc5)n4)c3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccccc5)n4)c3)cc(N3CCN(C)CC3)c2)cn1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccccc5)n4)c3)cc(N3CCNCC3)c2)cn1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccccn5)n4)c3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C33H34N8O.C32H32N8O.C29H23F3N6O.C28H22F3N7O.C28H21F3N6O.C22H17F3N6O/c1-23-9-10-26(17-31(23)38-33-34-12-11-30(37-33)25-7-5-4-6-8-25)32(42)36-27-18-28(40-15-13-39(3)14-16-40)20-29(19-27)41-21-24(2)35-22-41;1-22-8-9-25(16-30(22)38-32-34-11-10-29(37-32)24-6-4-3-5-7-24)31(41)36-26-17-27(39-14-12-33-13-15-39)19-28(18-26)40-20-23(2)35-21-40;1-18-8-9-21(12-26(18)37-28-33-11-10-25(36-28)20-6-4-3-5-7-20)27(39)35-23-13-22(29(30,31)32)14-24(15-23)38-16-19(2)34-17-38;1-17-6-7-19(11-25(17)37-27-33-10-8-24(36-27)23-5-3-4-9-32-23)26(39)35-21-12-20(28(29,30)31)13-22(14-21)38-15-18(2)34-16-38;1-18-7-8-20(13-25(18)36-27-33-10-9-24(35-27)19-5-3-2-4-6-19)26(38)34-22-14-21(28(29,30)31)15-23(16-22)37-12-11-32-17-37;1-14-3-4-15(9-19(14)30-21-27-5-2-6-28-21)20(32)29-17-10-16(22(23,24)25)11-18(12-17)31-8-7-26-13-31/h4-12,17-22H,13-16H2,1-3H3,(H,36,42)(H,34,37,38);3-11,16-21,33H,12-15H2,1-2H3,(H,36,41)(H,34,37,38);3-17H,1-2H3,(H,35,39)(H,33,36,37);3-16H,1-2H3,(H,35,39)(H,33,36,37);2-17H,1H3,(H,34,38)(H,33,35,36);2-13H,1H3,(H,29,32)(H,27,28,30)
InChIKeyUISGDRAWVNGILK-UHFFFAOYSA-N
XLogP36.00
TPSA543.02 Ų
H-Bond Donors13
H-Bond Acceptors41
Rotatable Bonds37
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003114.34
LogP ≤ 536.00
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1041

Analyze N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-(pyrimidin-2-ylamino)benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-piperazin-1-ylphenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzamide with MolForge

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Related Compounds

Nilotinib
CID 644241
Radotinib
CID 16063245
Nilotinib Hydrochloride Anhydrous
CID 16006490
Nilotinib Hydrochloride Monohydrate
CID 16757572
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide
CID 135331280
N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methylbenzamide
CID 135331296
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide
CID 135331304
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide
CID 135331337
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-piperazin-1-ylphenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide
CID 142426893
US8653087, III-168
CID 68035867
US8653087, III-173
CID 68035873
Nilotinib hydrochloride dihydrate
CID 67323320

Frequently Asked Questions

What is the IUPAC name of N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-(pyrimidin-2-ylamino)benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-piperazin-1-ylphenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-(pyrimidin-2-ylamino)benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-piperazin-1-ylphenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzamide (CID 161103271) is N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-(pyrimidin-2-ylamino)benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-piperazin-1-ylphenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-(pyrimidin-2-ylamino)benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-piperazin-1-ylphenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-(pyrimidin-2-ylamino)benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-piperazin-1-ylphenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzamide is Cc1ccc(C(=O)Nc2cc(-n3ccnc3)cc(C(F)(F)F)c2)cc1Nc1nccc(-c2ccccc2)n1.Cc1ccc(C(=O)Nc2cc(-n3ccnc3)cc(C(F)(F)F)c2)cc1Nc1ncccn1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccccc5)n4)c3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccccc5)n4)c3)cc(N3CCN(C)CC3)c2)cn1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccccc5)n4)c3)cc(N3CCNCC3)c2)cn1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccccn5)n4)c3)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-(pyrimidin-2-ylamino)benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-piperazin-1-ylphenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzamide?
The InChIKey is UISGDRAWVNGILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N8O.C32H32N8O.C29H23F3N6O.C28H22F3N7O.C28H21F3N6O.C22H17F3N6O/c1-23-9-10-26(17-31(23)38-33-34-12-11-30(37-33)25-7-5-4-6-8-25)32(42)36-27-18-28(40-15-13-39(3)14-16-40)20-29(19-27)41-21-24(2)35-22-41;1-22-8-9-25(16-30(22)38-32-34-11-10-29(37-32)24-6-4-3-5-7-24)31(41)36-26-17-27(39-14-12-33-13-15-39)19-28(18-26)40-20-23(2)35-21-40;1-18-8-9-21(12-26(18)37-28-33-11-10-25(36-28)20-6-4-3-5-7-20)27(39)35-23-13-22(29(30,31)32)14-24(15-23)38-16-19(2)34-17-38;1-17-6-7-19(11-25(17)37-27-33-10-8-24(36-27)23-5-3-4-9-32-23)26(39)35-21-12-20(28(29,30)31)13-22(14-21)38-15-18(2)34-16-38;1-18-7-8-20(13-25(18)36-27-33-10-9-24(35-27)19-5-3-2-4-6-19)26(38)34-22-14-21(28(29,30)31)15-23(16-22)37-12-11-32-17-37;1-14-3-4-15(9-19(14)30-21-27-5-2-6-28-21)20(32)29-17-10-16(22(23,24)25)11-18(12-17)31-8-7-26-13-31/h4-12,17-22H,13-16H2,1-3H3,(H,36,42)(H,34,37,38);3-11,16-21,33H,12-15H2,1-2H3,(H,36,41)(H,34,37,38);3-17H,1-2H3,(H,35,39)(H,33,36,37);3-16H,1-2H3,(H,35,39)(H,33,36,37);2-17H,1H3,(H,34,38)(H,33,35,36);2-13H,1H3,(H,29,32)(H,27,28,30).
What are the key properties of N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-(pyrimidin-2-ylamino)benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-piperazin-1-ylphenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzamide?
N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-(pyrimidin-2-ylamino)benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-piperazin-1-ylphenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzamide has a molecular weight of 3114.34 g/mol, XLogP of 36.00, 37 rotatable bonds, 13 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-(pyrimidin-2-ylamino)benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-piperazin-1-ylphenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 161103271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).