4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[3-(piperidin-1-ylmethyl)phenyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

C136H148F8N32O6 — CID 158288465

IUPAC4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[3-(piperidin-1-ylmethyl)phenyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC(C)(Cc1ccccc1-c1cccc(CN2CCCCC2)c1)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CN1CCN(c2cc(-c3ccccc3CC(C)(C)Nc3nc(N4CCOCC4)nc(-n4c(C(F)F)nc5ccccc54)n3)ccn2)CC1.COc1ccc(-c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cc1.COc1cccc(-c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)c1
InChIInChI=1S/C37H42F2N8O.C35H40F2N10O.2C32H33F2N7O2/c1-37(2,24-28-12-4-5-14-29(28)27-13-10-11-26(23-27)25-45-17-8-3-9-18-45)44-34-41-35(46-19-21-48-22-20-46)43-36(42-34)47-31-16-7-6-15-30(31)40-33(47)32(38)39;1-35(2,23-25-8-4-5-9-26(25)24-12-13-38-29(22-24)45-16-14-44(3)15-17-45)43-32-40-33(46-18-20-48-21-19-46)42-34(41-32)47-28-11-7-6-10-27(28)39-31(47)30(36)37;1-32(2,20-22-9-4-5-12-24(22)21-10-8-11-23(19-21)42-3)39-29-36-30(40-15-17-43-18-16-40)38-31(37-29)41-26-14-7-6-13-25(26)35-28(41)27(33)34;1-32(2,20-22-8-4-5-9-24(22)21-12-14-23(42-3)15-13-21)39-29-36-30(40-16-18-43-19-17-40)38-31(37-29)41-26-11-7-6-10-25(26)35-28(41)27(33)34/h4-7,10-16,23,32H,3,8-9,17-22,24-25H2,1-2H3,(H,41,42,43,44);4-13,22,30H,14-21,23H2,1-3H3,(H,40,41,42,43);4-14,19,27H,15-18,20H2,1-3H3,(H,36,37,38,39);4-15,27H,16-20H2,1-3H3,(H,36,37,38,39)
InChIKeyGLBMACXDFNSHTD-UHFFFAOYSA-N
MW2478.88 g/mol
LogP24.49
Rot. Bonds37

About 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[3-(piperidin-1-ylmethyl)phenyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[3-(piperidin-1-ylmethyl)phenyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 158288465) has the molecular formula C136H148F8N32O6 and a molecular weight of 2478.88 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[3-(piperidin-1-ylmethyl)phenyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[3-(piperidin-1-ylmethyl)phenyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID158288465
Molecular FormulaC136H148F8N32O6
Molecular Weight2478.88 g/mol
Exact Mass2477.21
IUPAC Name4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[3-(piperidin-1-ylmethyl)phenyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC(C)(Cc1ccccc1-c1cccc(CN2CCCCC2)c1)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CN1CCN(c2cc(-c3ccccc3CC(C)(C)Nc3nc(N4CCOCC4)nc(-n4c(C(F)F)nc5ccccc54)n3)ccn2)CC1.COc1ccc(-c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cc1.COc1cccc(-c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)c1
InChIInChI=1S/C37H42F2N8O.C35H40F2N10O.2C32H33F2N7O2/c1-37(2,24-28-12-4-5-14-29(28)27-13-10-11-26(23-27)25-45-17-8-3-9-18-45)44-34-41-35(46-19-21-48-22-20-46)43-36(42-34)47-31-16-7-6-15-30(31)40-33(47)32(38)39;1-35(2,23-25-8-4-5-9-26(25)24-12-13-38-29(22-24)45-16-14-44(3)15-17-45)43-32-40-33(46-18-20-48-21-19-46)42-34(41-32)47-28-11-7-6-10-27(28)39-31(47)30(36)37;1-32(2,20-22-9-4-5-12-24(22)21-10-8-11-23(19-21)42-3)39-29-36-30(40-15-17-43-18-16-40)38-31(37-29)41-26-14-7-6-13-25(26)35-28(41)27(33)34;1-32(2,20-22-8-4-5-9-24(22)21-12-14-23(42-3)15-13-21)39-29-36-30(40-16-18-43-19-17-40)38-31(37-29)41-26-11-7-6-10-25(26)35-28(41)27(33)34/h4-7,10-16,23,32H,3,8-9,17-22,24-25H2,1-2H3,(H,41,42,43,44);4-13,22,30H,14-21,23H2,1-3H3,(H,40,41,42,43);4-14,19,27H,15-18,20H2,1-3H3,(H,36,37,38,39);4-15,27H,16-20H2,1-3H3,(H,36,37,38,39)
InChIKeyGLBMACXDFNSHTD-UHFFFAOYSA-N
XLogP24.49
TPSA365.03 Ų
H-Bond Donors4
H-Bond Acceptors38
Rotatable Bonds37
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002478.88
LogP ≤ 524.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1038

Analyze 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[3-(piperidin-1-ylmethyl)phenyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxypyridin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66571071
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66571311
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66571371
4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 70810454
N-[6-[[6-[3-[1,1-difluoro-2-[[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-yl]amino]-2-oxoethoxy]phenyl]-1-pyridin-2-ylbenzimidazol-2-yl]oxymethyl]pyridin-2-yl]-2,2-difluoro-2-phenoxyacetamide
CID 132022157
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(2-methoxy-4-pyridinyl)cyclohexa-1,5-dien-3-yn-1-yl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 138751442
N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N-[[5-[3-[2-[2-(1-piperidin-1-ylethyl)benzimidazol-1-yl]ethoxy]phenyl]pyridin-2-yl]methyl]propan-2-amine
CID 139322998
2-Isocyanato-1-methoxy-4-(trifluoromethyl)benzene;1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[3-[8-(2-pyridin-4-ylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea;3-[8-(2-pyridin-4-ylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]aniline
CID 157091313
12-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[3-methoxy-5-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-(piperidin-1-ylmethyl)-3-(trifluoromethoxy)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 157102871
N-[2-amino-5-[4-(1,1-difluoroethyl)phenyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(2,4-dimethylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyrazine-6-carboxamide;N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;N-[2-amino-5-(4-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 157133523
3-(1H-benzimidazol-2-yl)-6-tert-butyl-2,4-dihydro-1,3-benzoxazine;6-tert-butyl-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine;6-tert-butyl-3-(3-imidazol-1-ylpropyl)-2,4-dihydro-1,3-benzoxazine;6-tert-butyl-3-phenyl-2,4-dihydro-1,3-benzoxazine;6-tert-butyl-3-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-2,4-dihydro-1,3-benzoxazine
CID 157151363
4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;5-fluoro-2-(4-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 157197643

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[3-(piperidin-1-ylmethyl)phenyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[3-(piperidin-1-ylmethyl)phenyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 158288465) is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[3-(piperidin-1-ylmethyl)phenyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[3-(piperidin-1-ylmethyl)phenyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[3-(piperidin-1-ylmethyl)phenyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is CC(C)(Cc1ccccc1-c1cccc(CN2CCCCC2)c1)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CN1CCN(c2cc(-c3ccccc3CC(C)(C)Nc3nc(N4CCOCC4)nc(-n4c(C(F)F)nc5ccccc54)n3)ccn2)CC1.COc1ccc(-c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)cc1.COc1cccc(-c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)c1.
What is the InChIKey of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[3-(piperidin-1-ylmethyl)phenyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is GLBMACXDFNSHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42F2N8O.C35H40F2N10O.2C32H33F2N7O2/c1-37(2,24-28-12-4-5-14-29(28)27-13-10-11-26(23-27)25-45-17-8-3-9-18-45)44-34-41-35(46-19-21-48-22-20-46)43-36(42-34)47-31-16-7-6-15-30(31)40-33(47)32(38)39;1-35(2,23-25-8-4-5-9-26(25)24-12-13-38-29(22-24)45-16-14-44(3)15-17-45)43-32-40-33(46-18-20-48-21-19-46)42-34(41-32)47-28-11-7-6-10-27(28)39-31(47)30(36)37;1-32(2,20-22-9-4-5-12-24(22)21-10-8-11-23(19-21)42-3)39-29-36-30(40-15-17-43-18-16-40)38-31(37-29)41-26-14-7-6-13-25(26)35-28(41)27(33)34;1-32(2,20-22-8-4-5-9-24(22)21-12-14-23(42-3)15-13-21)39-29-36-30(40-16-18-43-19-17-40)38-31(37-29)41-26-11-7-6-10-25(26)35-28(41)27(33)34/h4-7,10-16,23,32H,3,8-9,17-22,24-25H2,1-2H3,(H,41,42,43,44);4-13,22,30H,14-21,23H2,1-3H3,(H,40,41,42,43);4-14,19,27H,15-18,20H2,1-3H3,(H,36,37,38,39);4-15,27H,16-20H2,1-3H3,(H,36,37,38,39).
What are the key properties of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[3-(piperidin-1-ylmethyl)phenyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[3-(piperidin-1-ylmethyl)phenyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 2478.88 g/mol, XLogP of 24.49, 37 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(3-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(4-methoxyphenyl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-[3-(piperidin-1-ylmethyl)phenyl]phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 158288465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).