4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[2-(dimethylamino)ethoxy]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-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyridin-4-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine;methane

C147H180F10N38O7 — CID 157067688

IUPAC4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[2-(dimethylamino)ethoxy]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-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyridin-4-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine;methane
SMILESC.C.C.C.C.CC(C)(CNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccccc1.CC(C)(Cc1ccccc1-c1ccncc1)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CC(C)(Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)C1(c2ccccc2)CC1.CN(C)CCOc1ccccc1CC(C)(C)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CN1CCC(Oc2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1
InChIInChI=1S/C31H38F2N8O2.C30H30F2N8O.C29H36F2N8O2.C27H29F2N7O.C25H27F2N7O.5CH4/c1-31(2,20-21-8-4-7-11-25(21)43-22-12-14-39(3)15-13-22)38-28-35-29(40-16-18-42-19-17-40)37-30(36-28)41-24-10-6-5-9-23(24)34-27(41)26(32)33;1-30(2,19-21-7-3-4-8-22(21)20-11-13-33-14-12-20)38-27-35-28(39-15-17-41-18-16-39)37-29(36-27)40-24-10-6-5-9-23(24)34-26(40)25(31)32;1-29(2,19-20-9-5-8-12-23(20)41-18-13-37(3)4)36-26-33-27(38-14-16-40-17-15-38)35-28(34-26)39-22-11-7-6-10-21(22)32-25(39)24(30)31;1-26(2,27(12-13-27)18-8-4-3-5-9-18)34-23-31-24(35-14-16-37-17-15-35)33-25(32-23)36-20-11-7-6-10-19(20)30-22(36)21(28)29;1-25(2,17-8-4-3-5-9-17)16-28-22-30-23(33-12-14-35-15-13-33)32-24(31-22)34-19-11-7-6-10-18(19)29-21(34)20(26)27;;;;;/h4-11,22,26H,12-20H2,1-3H3,(H,35,36,37,38);3-14,25H,15-19H2,1-2H3,(H,35,36,37,38);5-12,24H,13-19H2,1-4H3,(H,33,34,35,36);3-11,21H,12-17H2,1-2H3,(H,31,32,33,34);3-11,20H,12-16H2,1-2H3,(H,28,30,31,32);5*1H4
InChIKeyACBJYIWKTNIGNS-UHFFFAOYSA-N
MW2781.30 g/mol
LogP27.19
Rot. Bonds42

About 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[2-(dimethylamino)ethoxy]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-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyridin-4-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine;methane

4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[2-(dimethylamino)ethoxy]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-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyridin-4-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine;methane (PubChem CID 157067688) has the molecular formula C147H180F10N38O7 and a molecular weight of 2781.30 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[2-(dimethylamino)ethoxy]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-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyridin-4-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine;methane.

Molecular Properties

Compound Name4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[2-(dimethylamino)ethoxy]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-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyridin-4-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine;methane
PubChem CID157067688
Molecular FormulaC147H180F10N38O7
Molecular Weight2781.30 g/mol
Exact Mass2779.47
IUPAC Name4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[2-(dimethylamino)ethoxy]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-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyridin-4-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine;methane
SMILESC.C.C.C.C.CC(C)(CNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccccc1.CC(C)(Cc1ccccc1-c1ccncc1)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CC(C)(Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)C1(c2ccccc2)CC1.CN(C)CCOc1ccccc1CC(C)(C)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CN1CCC(Oc2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1
InChIInChI=1S/C31H38F2N8O2.C30H30F2N8O.C29H36F2N8O2.C27H29F2N7O.C25H27F2N7O.5CH4/c1-31(2,20-21-8-4-7-11-25(21)43-22-12-14-39(3)15-13-22)38-28-35-29(40-16-18-42-19-17-40)37-30(36-28)41-24-10-6-5-9-23(24)34-27(41)26(32)33;1-30(2,19-21-7-3-4-8-22(21)20-11-13-33-14-12-20)38-27-35-28(39-15-17-41-18-16-39)37-29(36-27)40-24-10-6-5-9-23(24)34-26(40)25(31)32;1-29(2,19-20-9-5-8-12-23(20)41-18-13-37(3)4)36-26-33-27(38-14-16-40-17-15-38)35-28(34-26)39-22-11-7-6-10-21(22)32-25(39)24(30)31;1-26(2,27(12-13-27)18-8-4-3-5-9-18)34-23-31-24(35-14-16-37-17-15-35)33-25(32-23)36-20-11-7-6-10-19(20)30-22(36)21(28)29;1-25(2,17-8-4-3-5-9-17)16-28-22-30-23(33-12-14-35-15-13-33)32-24(31-22)34-19-11-7-6-10-18(19)29-21(34)20(26)27;;;;;/h4-11,22,26H,12-20H2,1-3H3,(H,35,36,37,38);3-14,25H,15-19H2,1-2H3,(H,35,36,37,38);5-12,24H,13-19H2,1-4H3,(H,33,34,35,36);3-11,21H,12-17H2,1-2H3,(H,31,32,33,34);3-11,20H,12-16H2,1-2H3,(H,28,30,31,32);5*1H4
InChIKeyACBJYIWKTNIGNS-UHFFFAOYSA-N
XLogP27.19
TPSA442.78 Ų
H-Bond Donors5
H-Bond Acceptors45
Rotatable Bonds42
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002781.30
LogP ≤ 527.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1045

Analyze 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[2-(dimethylamino)ethoxy]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-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyridin-4-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine;methane 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

2-(benzimidazol-1-yl)-9-[2-[2-(benzimidazol-1-yl)-9-(2,3-dihydro-1-benzofuran-3-yl)-8-oxopurin-7-yl]-3,4-dihydro-2H-chromen-4-yl]-7-[4-[2-(benzimidazol-1-yl)-8-oxo-7H-purin-9-yl]-5-fluoro-3,4-dihydro-2H-chromen-2-yl]purin-8-one
CID 143306634
1-[4-[6-(1,1-Difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;1-[4-[6-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]phenyl]cyclopropane-1-carbonitrile;bis(3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine);3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine
CID 157071658
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
2-N-[4-(difluoromethoxy)phenyl]-6-(4,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 157293772
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole;N,N-dimethyl-1-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazol-4-yl]piperidin-4-amine;5-[(2S,6R)-1-methyl-6-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;4-[(2S,6R)-1-methyl-6-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-2-yl]-[1,3]dioxolo[4,5-c]pyridine;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trifluoromethoxy)-2-pyridinyl]piperidin-2-yl]-1H-benzimidazole
CID 157301116
N-(4-cyclopropylphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;N-(4-methoxyphenyl)-6-(2-methylindol-1-yl)pyrazin-2-amine;6-(2-methylimidazo[4,5-c]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methylphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine;6-(2-methylsulfanylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
CID 157399078
2-chloro-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]pyrimidin-5-amine;N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-methoxy-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]pyrimidin-5-amine;6-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine
CID 157493840
4-N-[4-(difluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 157494669
1-[4-[6-(1,1-Difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]-3-methoxyphenyl]cyclopropane-1-carbonitrile;1-[4-[6-(1,1-difluoroethyl)imidazo[1,5-a]pyrimidin-3-yl]phenyl]cyclopropane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-8-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;6-(1,1-difluoroethyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine
CID 157566454
2-(2-cyclopropyl-4-fluorobenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;2-(2-cyclopropyl-4-fluorobenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(2-methylimidazo[4,5-b]pyridin-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(2-methylimidazo[4,5-b]pyridin-1-yl)pyrimidine-4,6-diamine
CID 157581102
2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(5-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 157737052
N-[[6-(imidazo[2,1-a]phthalazin-6-yloxymethyl)-2-pyridinyl]methyl]-2-phenylethanamine;N-[[6-[(3-methylimidazo[5,1-a]phthalazin-6-yl)oxymethyl]-2-pyridinyl]methyl]-2-phenylethanamine;2-phenyl-N-[[6-[[2-(trifluoromethyl)imidazo[2,1-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]methyl]ethanamine;2-phenyl-N-[[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]methyl]ethanamine
CID 157803796

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[2-(dimethylamino)ethoxy]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-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyridin-4-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine;methane?
The IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[2-(dimethylamino)ethoxy]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-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyridin-4-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine;methane (CID 157067688) is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[2-(dimethylamino)ethoxy]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-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyridin-4-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine;methane.
What is the SMILES notation for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[2-(dimethylamino)ethoxy]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-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyridin-4-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine;methane?
The canonical SMILES for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[2-(dimethylamino)ethoxy]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-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyridin-4-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine;methane is C.C.C.C.C.CC(C)(CNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)c1ccccc1.CC(C)(Cc1ccccc1-c1ccncc1)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CC(C)(Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1)C1(c2ccccc2)CC1.CN(C)CCOc1ccccc1CC(C)(C)Nc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1.CN1CCC(Oc2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1.
What is the InChIKey of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[2-(dimethylamino)ethoxy]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-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyridin-4-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine;methane?
The InChIKey is ACBJYIWKTNIGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38F2N8O2.C30H30F2N8O.C29H36F2N8O2.C27H29F2N7O.C25H27F2N7O.5CH4/c1-31(2,20-21-8-4-7-11-25(21)43-22-12-14-39(3)15-13-22)38-28-35-29(40-16-18-42-19-17-40)37-30(36-28)41-24-10-6-5-9-23(24)34-27(41)26(32)33;1-30(2,19-21-7-3-4-8-22(21)20-11-13-33-14-12-20)38-27-35-28(39-15-17-41-18-16-39)37-29(36-27)40-24-10-6-5-9-23(24)34-26(40)25(31)32;1-29(2,19-20-9-5-8-12-23(20)41-18-13-37(3)4)36-26-33-27(38-14-16-40-17-15-38)35-28(34-26)39-22-11-7-6-10-21(22)32-25(39)24(30)31;1-26(2,27(12-13-27)18-8-4-3-5-9-18)34-23-31-24(35-14-16-37-17-15-35)33-25(32-23)36-20-11-7-6-10-19(20)30-22(36)21(28)29;1-25(2,17-8-4-3-5-9-17)16-28-22-30-23(33-12-14-35-15-13-33)32-24(31-22)34-19-11-7-6-10-18(19)29-21(34)20(26)27;;;;;/h4-11,22,26H,12-20H2,1-3H3,(H,35,36,37,38);3-14,25H,15-19H2,1-2H3,(H,35,36,37,38);5-12,24H,13-19H2,1-4H3,(H,33,34,35,36);3-11,21H,12-17H2,1-2H3,(H,31,32,33,34);3-11,20H,12-16H2,1-2H3,(H,28,30,31,32);5*1H4.
What are the key properties of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[2-(dimethylamino)ethoxy]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-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyridin-4-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine;methane?
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[2-(dimethylamino)ethoxy]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-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyridin-4-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine;methane has a molecular weight of 2781.30 g/mol, XLogP of 27.19, 42 rotatable bonds, 5 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-[2-(dimethylamino)ethoxy]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-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-2-phenylpropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyridin-4-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[2-(1-phenylcyclopropyl)propan-2-yl]-1,3,5-triazin-2-amine;methane is sourced from PubChem (CID 157067688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).