1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(4-ethoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-ethyl-N-[[4-[2-(4-ethylphenyl)ethyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-fluoro-N-[[4-[2-(4-fluorophenyl)ethyl]phenyl]methyl]aniline;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;[4-[(3-methoxyanilino)methyl]phenyl]methanol;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;4-methyl-N-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]aniline;[4-[(2-nitroanilino)methyl]phenyl]methanol;3-nitro-N-[[4-[(3-nitroanilino)methyl]phenyl]methyl]aniline;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;N-[3-(trifluoromethyl)phenyl]-4-[2-[3-(trifluoromethyl)phenyl]acetyl]benzamide

C284H278F11N39O19 — CID 163612967

IUPAC1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(4-ethoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-ethyl-N-[[4-[2-(4-ethylphenyl)ethyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-fluoro-N-[[4-[2-(4-fluorophenyl)ethyl]phenyl]methyl]aniline;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;[4-[(3-methoxyanilino)methyl]phenyl]methanol;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;4-methyl-N-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]aniline;[4-[(2-nitroanilino)methyl]phenyl]methanol;3-nitro-N-[[4-[(3-nitroanilino)methyl]phenyl]methyl]aniline;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;N-[3-(trifluoromethyl)phenyl]-4-[2-[3-(trifluoromethyl)phenyl]acetyl]benzamide
SMILESCCOc1ccnc(NCc2ccc(CNc3nccc(OC)n3)cc2)n1.CCc1ccc(CCc2ccc(CNc3ccc(CC)cc3)cc2)cc1.CN(C)Cc1ccc(CN(C)C)cc1.COc1cccc(CC(=O)c2ccc(C(=O)Nc3cccc(OC)c3)cc2)c1.COc1cccc(NCc2ccc(CO)cc2)c1.COc1nc(NCc2ccc(CNc3ncc(F)c(OC)n3)cc2)ncc1F.Cc1ccc(CCc2ccc(CNc3ccc(C)cc3)cc2)cc1.Fc1ccc(CCc2ccc(CNc3ccc(F)cc3)cc2)cc1.Fc1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1.O=C(Cc1cccc(C(F)(F)F)c1)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1.O=[N+]([O-])c1cccc(NCc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2)c1.O=[N+]([O-])c1ccccc1NCc1ccc(CO)cc1.c1ccc(C2=C(c3ccccc3)N=C(c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)[nH]4)cc3)C2)cc1.c1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1
InChIInChI=1S/C37H27N3.C25H29N.C23H15F6NO2.C23H21NO4.C23H25N.C21H19F2N.C20H18N4O4.C19H22N6O2.C18H18F2N6O2.C17H16FN5.C17H17N5.C15H17NO2.C14H14N2O3.C12H20N2/c1-5-13-26(14-6-1)32-25-33(38-34(32)28-15-7-2-8-16-28)27-21-23-31(24-22-27)37-39-35(29-17-9-3-10-18-29)36(40-37)30-19-11-4-12-20-30;1-3-20-5-7-22(8-6-20)9-10-23-11-13-24(14-12-23)19-26-25-17-15-21(4-2)16-18-25;24-22(25,26)17-4-1-3-14(11-17)12-20(31)15-7-9-16(10-8-15)21(32)30-19-6-2-5-18(13-19)23(27,28)29;1-27-20-7-3-5-16(13-20)14-22(25)17-9-11-18(12-10-17)23(26)24-19-6-4-8-21(15-19)28-2;1-18-3-7-20(8-4-18)9-10-21-11-13-22(14-12-21)17-24-23-15-5-19(2)6-16-23;22-19-9-7-17(8-10-19)2-1-16-3-5-18(6-4-16)15-24-21-13-11-20(23)12-14-21;25-23(26)19-5-1-3-17(11-19)21-13-15-7-9-16(10-8-15)14-22-18-4-2-6-20(12-18)24(27)28;1-3-27-17-9-11-21-19(25-17)23-13-15-6-4-14(5-7-15)12-22-18-20-10-8-16(24-18)26-2;1-27-15-13(19)9-23-17(25-15)21-7-11-3-5-12(6-4-11)8-22-18-24-10-14(20)16(26-18)28-2;18-15-6-7-16(22-12-15)21-10-13-2-4-14(5-3-13)11-23-17-19-8-1-9-20-17;1-2-9-18-16(4-1)21-12-14-5-7-15(8-6-14)13-22-17-19-10-3-11-20-17;1-18-15-4-2-3-14(9-15)16-10-12-5-7-13(11-17)8-6-12;17-10-12-7-5-11(6-8-12)9-15-13-3-1-2-4-14(13)16(18)19;1-13(2)9-11-5-7-12(8-6-11)10-14(3)4/h1-24H,25H2,(H,39,40);5-8,11-18,26H,3-4,9-10,19H2,1-2H3;1-11,13H,12H2,(H,30,32);3-13,15H,14H2,1-2H3,(H,24,26);3-8,11-16,24H,9-10,17H2,1-2H3;3-14,24H,1-2,15H2;1-12,21-22H,13-14H2;4-11H,3,12-13H2,1-2H3,(H,20,22,24)(H,21,23,25);3-6,9-10H,7-8H2,1-2H3,(H,21,23,25)(H,22,24,26);1-9,12H,10-11H2,(H,21,22)(H,19,20,23);1-11H,12-13H2,(H,18,21)(H,19,20,22);2-9,16-17H,10-11H2,1H3;1-8,15,17H,9-10H2;5-8H,9-10H2,1-4H3
InChIKeyHHNVASMRDAAWRV-UHFFFAOYSA-N
MW4750.58 g/mol
LogP61.28
Rot. Bonds89

About 1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(4-ethoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-ethyl-N-[[4-[2-(4-ethylphenyl)ethyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-fluoro-N-[[4-[2-(4-fluorophenyl)ethyl]phenyl]methyl]aniline;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;[4-[(3-methoxyanilino)methyl]phenyl]methanol;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;4-methyl-N-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]aniline;[4-[(2-nitroanilino)methyl]phenyl]methanol;3-nitro-N-[[4-[(3-nitroanilino)methyl]phenyl]methyl]aniline;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;N-[3-(trifluoromethyl)phenyl]-4-[2-[3-(trifluoromethyl)phenyl]acetyl]benzamide

1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(4-ethoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-ethyl-N-[[4-[2-(4-ethylphenyl)ethyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-fluoro-N-[[4-[2-(4-fluorophenyl)ethyl]phenyl]methyl]aniline;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;[4-[(3-methoxyanilino)methyl]phenyl]methanol;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;4-methyl-N-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]aniline;[4-[(2-nitroanilino)methyl]phenyl]methanol;3-nitro-N-[[4-[(3-nitroanilino)methyl]phenyl]methyl]aniline;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;N-[3-(trifluoromethyl)phenyl]-4-[2-[3-(trifluoromethyl)phenyl]acetyl]benzamide (PubChem CID 163612967) has the molecular formula C284H278F11N39O19 and a molecular weight of 4750.58 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(4-ethoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-ethyl-N-[[4-[2-(4-ethylphenyl)ethyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-fluoro-N-[[4-[2-(4-fluorophenyl)ethyl]phenyl]methyl]aniline;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;[4-[(3-methoxyanilino)methyl]phenyl]methanol;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;4-methyl-N-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]aniline;[4-[(2-nitroanilino)methyl]phenyl]methanol;3-nitro-N-[[4-[(3-nitroanilino)methyl]phenyl]methyl]aniline;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;N-[3-(trifluoromethyl)phenyl]-4-[2-[3-(trifluoromethyl)phenyl]acetyl]benzamide.

Molecular Properties

Compound Name1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(4-ethoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-ethyl-N-[[4-[2-(4-ethylphenyl)ethyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-fluoro-N-[[4-[2-(4-fluorophenyl)ethyl]phenyl]methyl]aniline;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;[4-[(3-methoxyanilino)methyl]phenyl]methanol;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;4-methyl-N-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]aniline;[4-[(2-nitroanilino)methyl]phenyl]methanol;3-nitro-N-[[4-[(3-nitroanilino)methyl]phenyl]methyl]aniline;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;N-[3-(trifluoromethyl)phenyl]-4-[2-[3-(trifluoromethyl)phenyl]acetyl]benzamide
PubChem CID163612967
Molecular FormulaC284H278F11N39O19
Molecular Weight4750.58 g/mol
Exact Mass4747.18
IUPAC Name1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(4-ethoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-ethyl-N-[[4-[2-(4-ethylphenyl)ethyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-fluoro-N-[[4-[2-(4-fluorophenyl)ethyl]phenyl]methyl]aniline;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;[4-[(3-methoxyanilino)methyl]phenyl]methanol;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;4-methyl-N-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]aniline;[4-[(2-nitroanilino)methyl]phenyl]methanol;3-nitro-N-[[4-[(3-nitroanilino)methyl]phenyl]methyl]aniline;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;N-[3-(trifluoromethyl)phenyl]-4-[2-[3-(trifluoromethyl)phenyl]acetyl]benzamide
SMILESCCOc1ccnc(NCc2ccc(CNc3nccc(OC)n3)cc2)n1.CCc1ccc(CCc2ccc(CNc3ccc(CC)cc3)cc2)cc1.CN(C)Cc1ccc(CN(C)C)cc1.COc1cccc(CC(=O)c2ccc(C(=O)Nc3cccc(OC)c3)cc2)c1.COc1cccc(NCc2ccc(CO)cc2)c1.COc1nc(NCc2ccc(CNc3ncc(F)c(OC)n3)cc2)ncc1F.Cc1ccc(CCc2ccc(CNc3ccc(C)cc3)cc2)cc1.Fc1ccc(CCc2ccc(CNc3ccc(F)cc3)cc2)cc1.Fc1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1.O=C(Cc1cccc(C(F)(F)F)c1)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1.O=[N+]([O-])c1cccc(NCc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2)c1.O=[N+]([O-])c1ccccc1NCc1ccc(CO)cc1.c1ccc(C2=C(c3ccccc3)N=C(c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)[nH]4)cc3)C2)cc1.c1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1
InChIInChI=1S/C37H27N3.C25H29N.C23H15F6NO2.C23H21NO4.C23H25N.C21H19F2N.C20H18N4O4.C19H22N6O2.C18H18F2N6O2.C17H16FN5.C17H17N5.C15H17NO2.C14H14N2O3.C12H20N2/c1-5-13-26(14-6-1)32-25-33(38-34(32)28-15-7-2-8-16-28)27-21-23-31(24-22-27)37-39-35(29-17-9-3-10-18-29)36(40-37)30-19-11-4-12-20-30;1-3-20-5-7-22(8-6-20)9-10-23-11-13-24(14-12-23)19-26-25-17-15-21(4-2)16-18-25;24-22(25,26)17-4-1-3-14(11-17)12-20(31)15-7-9-16(10-8-15)21(32)30-19-6-2-5-18(13-19)23(27,28)29;1-27-20-7-3-5-16(13-20)14-22(25)17-9-11-18(12-10-17)23(26)24-19-6-4-8-21(15-19)28-2;1-18-3-7-20(8-4-18)9-10-21-11-13-22(14-12-21)17-24-23-15-5-19(2)6-16-23;22-19-9-7-17(8-10-19)2-1-16-3-5-18(6-4-16)15-24-21-13-11-20(23)12-14-21;25-23(26)19-5-1-3-17(11-19)21-13-15-7-9-16(10-8-15)14-22-18-4-2-6-20(12-18)24(27)28;1-3-27-17-9-11-21-19(25-17)23-13-15-6-4-14(5-7-15)12-22-18-20-10-8-16(24-18)26-2;1-27-15-13(19)9-23-17(25-15)21-7-11-3-5-12(6-4-11)8-22-18-24-10-14(20)16(26-18)28-2;18-15-6-7-16(22-12-15)21-10-13-2-4-14(5-3-13)11-23-17-19-8-1-9-20-17;1-2-9-18-16(4-1)21-12-14-5-7-15(8-6-14)13-22-17-19-10-3-11-20-17;1-18-15-4-2-3-14(9-15)16-10-12-5-7-13(11-17)8-6-12;17-10-12-7-5-11(6-8-12)9-15-13-3-1-2-4-14(13)16(18)19;1-13(2)9-11-5-7-12(8-6-11)10-14(3)4/h1-24H,25H2,(H,39,40);5-8,11-18,26H,3-4,9-10,19H2,1-2H3;1-11,13H,12H2,(H,30,32);3-13,15H,14H2,1-2H3,(H,24,26);3-8,11-16,24H,9-10,17H2,1-2H3;3-14,24H,1-2,15H2;1-12,21-22H,13-14H2;4-11H,3,12-13H2,1-2H3,(H,20,22,24)(H,21,23,25);3-6,9-10H,7-8H2,1-2H3,(H,21,23,25)(H,22,24,26);1-9,12H,10-11H2,(H,21,22)(H,19,20,23);1-11H,12-13H2,(H,18,21)(H,19,20,22);2-9,16-17H,10-11H2,1H3;1-8,15,17H,9-10H2;5-8H,9-10H2,1-4H3
InChIKeyHHNVASMRDAAWRV-UHFFFAOYSA-N
XLogP61.28
TPSA735.26 Ų
H-Bond Donors20
H-Bond Acceptors52
Rotatable Bonds89
Heavy Atoms353
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004750.58
LogP ≤ 561.28
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1052

Analyze 1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(4-ethoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-ethyl-N-[[4-[2-(4-ethylphenyl)ethyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-fluoro-N-[[4-[2-(4-fluorophenyl)ethyl]phenyl]methyl]aniline;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;[4-[(3-methoxyanilino)methyl]phenyl]methanol;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;4-methyl-N-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]aniline;[4-[(2-nitroanilino)methyl]phenyl]methanol;3-nitro-N-[[4-[(3-nitroanilino)methyl]phenyl]methyl]aniline;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;N-[3-(trifluoromethyl)phenyl]-4-[2-[3-(trifluoromethyl)phenyl]acetyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(4-ethoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-ethyl-N-[[4-[2-(4-ethylphenyl)ethyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-fluoro-N-[[4-[2-(4-fluorophenyl)ethyl]phenyl]methyl]aniline;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;[4-[(3-methoxyanilino)methyl]phenyl]methanol;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;4-methyl-N-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]aniline;[4-[(2-nitroanilino)methyl]phenyl]methanol;3-nitro-N-[[4-[(3-nitroanilino)methyl]phenyl]methyl]aniline;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;N-[3-(trifluoromethyl)phenyl]-4-[2-[3-(trifluoromethyl)phenyl]acetyl]benzamide?
The IUPAC name of 1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(4-ethoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-ethyl-N-[[4-[2-(4-ethylphenyl)ethyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-fluoro-N-[[4-[2-(4-fluorophenyl)ethyl]phenyl]methyl]aniline;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;[4-[(3-methoxyanilino)methyl]phenyl]methanol;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;4-methyl-N-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]aniline;[4-[(2-nitroanilino)methyl]phenyl]methanol;3-nitro-N-[[4-[(3-nitroanilino)methyl]phenyl]methyl]aniline;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;N-[3-(trifluoromethyl)phenyl]-4-[2-[3-(trifluoromethyl)phenyl]acetyl]benzamide (CID 163612967) is 1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(4-ethoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-ethyl-N-[[4-[2-(4-ethylphenyl)ethyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-fluoro-N-[[4-[2-(4-fluorophenyl)ethyl]phenyl]methyl]aniline;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;[4-[(3-methoxyanilino)methyl]phenyl]methanol;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;4-methyl-N-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]aniline;[4-[(2-nitroanilino)methyl]phenyl]methanol;3-nitro-N-[[4-[(3-nitroanilino)methyl]phenyl]methyl]aniline;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;N-[3-(trifluoromethyl)phenyl]-4-[2-[3-(trifluoromethyl)phenyl]acetyl]benzamide.
What is the SMILES notation for 1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(4-ethoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-ethyl-N-[[4-[2-(4-ethylphenyl)ethyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-fluoro-N-[[4-[2-(4-fluorophenyl)ethyl]phenyl]methyl]aniline;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;[4-[(3-methoxyanilino)methyl]phenyl]methanol;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;4-methyl-N-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]aniline;[4-[(2-nitroanilino)methyl]phenyl]methanol;3-nitro-N-[[4-[(3-nitroanilino)methyl]phenyl]methyl]aniline;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;N-[3-(trifluoromethyl)phenyl]-4-[2-[3-(trifluoromethyl)phenyl]acetyl]benzamide?
The canonical SMILES for 1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(4-ethoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-ethyl-N-[[4-[2-(4-ethylphenyl)ethyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-fluoro-N-[[4-[2-(4-fluorophenyl)ethyl]phenyl]methyl]aniline;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;[4-[(3-methoxyanilino)methyl]phenyl]methanol;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;4-methyl-N-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]aniline;[4-[(2-nitroanilino)methyl]phenyl]methanol;3-nitro-N-[[4-[(3-nitroanilino)methyl]phenyl]methyl]aniline;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;N-[3-(trifluoromethyl)phenyl]-4-[2-[3-(trifluoromethyl)phenyl]acetyl]benzamide is CCOc1ccnc(NCc2ccc(CNc3nccc(OC)n3)cc2)n1.CCc1ccc(CCc2ccc(CNc3ccc(CC)cc3)cc2)cc1.CN(C)Cc1ccc(CN(C)C)cc1.COc1cccc(CC(=O)c2ccc(C(=O)Nc3cccc(OC)c3)cc2)c1.COc1cccc(NCc2ccc(CO)cc2)c1.COc1nc(NCc2ccc(CNc3ncc(F)c(OC)n3)cc2)ncc1F.Cc1ccc(CCc2ccc(CNc3ccc(C)cc3)cc2)cc1.Fc1ccc(CCc2ccc(CNc3ccc(F)cc3)cc2)cc1.Fc1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1.O=C(Cc1cccc(C(F)(F)F)c1)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1.O=[N+]([O-])c1cccc(NCc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2)c1.O=[N+]([O-])c1ccccc1NCc1ccc(CO)cc1.c1ccc(C2=C(c3ccccc3)N=C(c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)[nH]4)cc3)C2)cc1.c1ccc(NCc2ccc(CNc3ncccn3)cc2)nc1.
What is the InChIKey of 1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(4-ethoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-ethyl-N-[[4-[2-(4-ethylphenyl)ethyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-fluoro-N-[[4-[2-(4-fluorophenyl)ethyl]phenyl]methyl]aniline;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;[4-[(3-methoxyanilino)methyl]phenyl]methanol;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;4-methyl-N-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]aniline;[4-[(2-nitroanilino)methyl]phenyl]methanol;3-nitro-N-[[4-[(3-nitroanilino)methyl]phenyl]methyl]aniline;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;N-[3-(trifluoromethyl)phenyl]-4-[2-[3-(trifluoromethyl)phenyl]acetyl]benzamide?
The InChIKey is HHNVASMRDAAWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N3.C25H29N.C23H15F6NO2.C23H21NO4.C23H25N.C21H19F2N.C20H18N4O4.C19H22N6O2.C18H18F2N6O2.C17H16FN5.C17H17N5.C15H17NO2.C14H14N2O3.C12H20N2/c1-5-13-26(14-6-1)32-25-33(38-34(32)28-15-7-2-8-16-28)27-21-23-31(24-22-27)37-39-35(29-17-9-3-10-18-29)36(40-37)30-19-11-4-12-20-30;1-3-20-5-7-22(8-6-20)9-10-23-11-13-24(14-12-23)19-26-25-17-15-21(4-2)16-18-25;24-22(25,26)17-4-1-3-14(11-17)12-20(31)15-7-9-16(10-8-15)21(32)30-19-6-2-5-18(13-19)23(27,28)29;1-27-20-7-3-5-16(13-20)14-22(25)17-9-11-18(12-10-17)23(26)24-19-6-4-8-21(15-19)28-2;1-18-3-7-20(8-4-18)9-10-21-11-13-22(14-12-21)17-24-23-15-5-19(2)6-16-23;22-19-9-7-17(8-10-19)2-1-16-3-5-18(6-4-16)15-24-21-13-11-20(23)12-14-21;25-23(26)19-5-1-3-17(11-19)21-13-15-7-9-16(10-8-15)14-22-18-4-2-6-20(12-18)24(27)28;1-3-27-17-9-11-21-19(25-17)23-13-15-6-4-14(5-7-15)12-22-18-20-10-8-16(24-18)26-2;1-27-15-13(19)9-23-17(25-15)21-7-11-3-5-12(6-4-11)8-22-18-24-10-14(20)16(26-18)28-2;18-15-6-7-16(22-12-15)21-10-13-2-4-14(5-3-13)11-23-17-19-8-1-9-20-17;1-2-9-18-16(4-1)21-12-14-5-7-15(8-6-14)13-22-17-19-10-3-11-20-17;1-18-15-4-2-3-14(9-15)16-10-12-5-7-13(11-17)8-6-12;17-10-12-7-5-11(6-8-12)9-15-13-3-1-2-4-14(13)16(18)19;1-13(2)9-11-5-7-12(8-6-11)10-14(3)4/h1-24H,25H2,(H,39,40);5-8,11-18,26H,3-4,9-10,19H2,1-2H3;1-11,13H,12H2,(H,30,32);3-13,15H,14H2,1-2H3,(H,24,26);3-8,11-16,24H,9-10,17H2,1-2H3;3-14,24H,1-2,15H2;1-12,21-22H,13-14H2;4-11H,3,12-13H2,1-2H3,(H,20,22,24)(H,21,23,25);3-6,9-10H,7-8H2,1-2H3,(H,21,23,25)(H,22,24,26);1-9,12H,10-11H2,(H,21,22)(H,19,20,23);1-11H,12-13H2,(H,18,21)(H,19,20,22);2-9,16-17H,10-11H2,1H3;1-8,15,17H,9-10H2;5-8H,9-10H2,1-4H3.
What are the key properties of 1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(4-ethoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-ethyl-N-[[4-[2-(4-ethylphenyl)ethyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-fluoro-N-[[4-[2-(4-fluorophenyl)ethyl]phenyl]methyl]aniline;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;[4-[(3-methoxyanilino)methyl]phenyl]methanol;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;4-methyl-N-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]aniline;[4-[(2-nitroanilino)methyl]phenyl]methanol;3-nitro-N-[[4-[(3-nitroanilino)methyl]phenyl]methyl]aniline;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;N-[3-(trifluoromethyl)phenyl]-4-[2-[3-(trifluoromethyl)phenyl]acetyl]benzamide?
1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(4-ethoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-ethyl-N-[[4-[2-(4-ethylphenyl)ethyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-fluoro-N-[[4-[2-(4-fluorophenyl)ethyl]phenyl]methyl]aniline;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;[4-[(3-methoxyanilino)methyl]phenyl]methanol;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;4-methyl-N-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]aniline;[4-[(2-nitroanilino)methyl]phenyl]methanol;3-nitro-N-[[4-[(3-nitroanilino)methyl]phenyl]methyl]aniline;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;N-[3-(trifluoromethyl)phenyl]-4-[2-[3-(trifluoromethyl)phenyl]acetyl]benzamide has a molecular weight of 4750.58 g/mol, XLogP of 61.28, 89 rotatable bonds, 20 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine;2-[4-(4,5-diphenyl-3H-pyrrol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole;N-[[4-[[(4-ethoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-ethyl-N-[[4-[2-(4-ethylphenyl)ethyl]phenyl]methyl]aniline;5-fluoro-N-[[4-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methoxypyrimidin-2-amine;4-fluoro-N-[[4-[2-(4-fluorophenyl)ethyl]phenyl]methyl]aniline;N-[[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methyl]pyrimidin-2-amine;[4-[(3-methoxyanilino)methyl]phenyl]methanol;N-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)acetyl]benzamide;4-methyl-N-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]aniline;[4-[(2-nitroanilino)methyl]phenyl]methanol;3-nitro-N-[[4-[(3-nitroanilino)methyl]phenyl]methyl]aniline;N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine;N-[3-(trifluoromethyl)phenyl]-4-[2-[3-(trifluoromethyl)phenyl]acetyl]benzamide is sourced from PubChem (CID 163612967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).