2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-[[2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol;2-(6-ethenyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

C101H76ClF21N30O — CID 160851282

IUPAC2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-[[2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol;2-(6-ethenyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESC=Cc1ccc2nc(C)n(-c3nc(N)cc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1.Cc1nc2c(F)cc(F)cc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)c(F)c2)n1.Cc1nc2c(F)cc(F)cc2n1-c1nc(NCCO)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(Cl)cc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-n2c(C3CC3)nc3ccc(F)cc32)n1
InChIInChI=1S/C21H17F5N6O.C21H16F4N6.C21H17F3N6.C19H14ClF3N6.C19H12F6N6/c1-11-28-19-15(23)8-13(22)9-16(19)32(11)20-30-17(27-6-7-33)10-18(31-20)29-14-4-2-12(3-5-14)21(24,25)26;22-13-5-8-15-16(9-13)31(19(28-15)11-1-2-11)20-29-17(26)10-18(30-20)27-14-6-3-12(4-7-14)21(23,24)25;1-3-13-4-9-16-17(10-13)30(12(2)26-16)20-28-18(25)11-19(29-20)27-15-7-5-14(6-8-15)21(22,23)24;1-10-25-14-7-4-12(20)8-15(14)29(10)18-27-16(24)9-17(28-18)26-13-5-2-11(3-6-13)19(21,22)23;1-8-27-17-13(22)4-9(20)5-14(17)31(8)18-29-15(26)7-16(30-18)28-10-2-3-11(12(21)6-10)19(23,24)25/h2-5,8-10,33H,6-7H2,1H3,(H2,27,29,30,31);3-11H,1-2H2,(H3,26,27,29,30);3-11H,1H2,2H3,(H3,25,27,28,29);2-9H,1H3,(H3,24,26,27,28);2-7H,1H3,(H3,26,28,29,30)
InChIKeySJHGZXHEUKLHQZ-UHFFFAOYSA-N
MW2160.34 g/mol
LogP24.86
Rot. Bonds20

About 2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-[[2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol;2-(6-ethenyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-[[2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol;2-(6-ethenyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (PubChem CID 160851282) has the molecular formula C101H76ClF21N30O and a molecular weight of 2160.34 g/mol. Its IUPAC name is 2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-[[2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol;2-(6-ethenyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-[[2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol;2-(6-ethenyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
PubChem CID160851282
Molecular FormulaC101H76ClF21N30O
Molecular Weight2160.34 g/mol
Exact Mass2158.62
IUPAC Name2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-[[2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol;2-(6-ethenyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESC=Cc1ccc2nc(C)n(-c3nc(N)cc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1.Cc1nc2c(F)cc(F)cc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)c(F)c2)n1.Cc1nc2c(F)cc(F)cc2n1-c1nc(NCCO)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(Cl)cc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-n2c(C3CC3)nc3ccc(F)cc32)n1
InChIInChI=1S/C21H17F5N6O.C21H16F4N6.C21H17F3N6.C19H14ClF3N6.C19H12F6N6/c1-11-28-19-15(23)8-13(22)9-16(19)32(11)20-30-17(27-6-7-33)10-18(31-20)29-14-4-2-12(3-5-14)21(24,25)26;22-13-5-8-15-16(9-13)31(19(28-15)11-1-2-11)20-29-17(26)10-18(30-20)27-14-6-3-12(4-7-14)21(23,24)25;1-3-13-4-9-16-17(10-13)30(12(2)26-16)20-28-18(25)11-19(29-20)27-15-7-5-14(6-8-15)21(22,23)24;1-10-25-14-7-4-12(20)8-15(14)29(10)18-27-16(24)9-17(28-18)26-13-5-2-11(3-6-13)19(21,22)23;1-8-27-17-13(22)4-9(20)5-14(17)31(8)18-29-15(26)7-16(30-18)28-10-2-3-11(12(21)6-10)19(23,24)25/h2-5,8-10,33H,6-7H2,1H3,(H2,27,29,30,31);3-11H,1-2H2,(H3,26,27,29,30);3-11H,1H2,2H3,(H3,25,27,28,29);2-9H,1H3,(H3,24,26,27,28);2-7H,1H3,(H3,26,28,29,30)
InChIKeySJHGZXHEUKLHQZ-UHFFFAOYSA-N
XLogP24.86
TPSA414.49 Ų
H-Bond Donors11
H-Bond Acceptors31
Rotatable Bonds20
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002160.34
LogP ≤ 524.86
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1031

Analyze 2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-[[2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol;2-(6-ethenyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine with MolForge

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Related Compounds

N-(4-chloro-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(cyclopropylmethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;7-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyrimidin-5-amine
CID 157404048
6-(4-bromo-2-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-chloro-3-fluorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-(4,5-dichloro-2-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-4-amine
CID 157898960
N-[5-[(1-cyclopropylpiperidin-4-ylidene)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[[1-(2,2-difluoroethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methylidene]piperidin-1-yl]ethanol;3-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methylidene]piperidin-1-yl]propan-1-ol;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine
CID 158030610
4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 158125607
4-chloro-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-chloro-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine;2-[[6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;N-[6-(2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]hydroxylamine
CID 158811259
N-[5-[[1-(2,2-difluoroethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;3-[4-[(1R)-1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]ethyl]piperidin-1-yl]propan-1-ol;3-[4-[(1S)-1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]ethyl]piperidin-1-yl]propan-1-ol;3-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methylidene]piperidin-1-yl]propan-1-ol;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine
CID 158913992
CID 159079625
CID 159079625
5-Chloro-1-(cyclopropylmethyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;6-chloro-1-(cyclopropylmethyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;1-[(2-chlorophenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;1-(cyclopropylmethyl)-2-[4-(2-methylphenyl)piperazin-1-yl]-5-(trifluoromethyl)benzimidazole;1-(cyclopropylmethyl)-2-[4-(2-methylphenyl)piperazin-1-yl]-6-(trifluoromethyl)benzimidazole;1-[(2-methylphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole
CID 159417240
N-(6-chloro-3-pyridinyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-methoxy-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 159631202
2-(2-cyclopropyl-5-fluorobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethyl-6-fluorobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(trifluoromethyl)phenyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)pyrimidine-4,6-diamine
CID 159653551
6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-chloro-6-(2-methylbenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(4,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-[2-(difluoromethyl)-6-fluorobenzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(4-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 160544143
2-(5-chloro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-chloro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;6-(2,6-dimethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-[4-(trifluoromethyl)phenyl]-6-(2,4,5-trimethylimidazol-1-yl)pyrazin-2-amine
CID 160639516

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-[[2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol;2-(6-ethenyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-[[2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol;2-(6-ethenyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (CID 160851282) is 2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-[[2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol;2-(6-ethenyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-[[2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol;2-(6-ethenyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-[[2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol;2-(6-ethenyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is C=Cc1ccc2nc(C)n(-c3nc(N)cc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1.Cc1nc2c(F)cc(F)cc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)c(F)c2)n1.Cc1nc2c(F)cc(F)cc2n1-c1nc(NCCO)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(Cl)cc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-n2c(C3CC3)nc3ccc(F)cc32)n1.
What is the InChIKey of 2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-[[2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol;2-(6-ethenyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The InChIKey is SJHGZXHEUKLHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F5N6O.C21H16F4N6.C21H17F3N6.C19H14ClF3N6.C19H12F6N6/c1-11-28-19-15(23)8-13(22)9-16(19)32(11)20-30-17(27-6-7-33)10-18(31-20)29-14-4-2-12(3-5-14)21(24,25)26;22-13-5-8-15-16(9-13)31(19(28-15)11-1-2-11)20-29-17(26)10-18(30-20)27-14-6-3-12(4-7-14)21(23,24)25;1-3-13-4-9-16-17(10-13)30(12(2)26-16)20-28-18(25)11-19(29-20)27-15-7-5-14(6-8-15)21(22,23)24;1-10-25-14-7-4-12(20)8-15(14)29(10)18-27-16(24)9-17(28-18)26-13-5-2-11(3-6-13)19(21,22)23;1-8-27-17-13(22)4-9(20)5-14(17)31(8)18-29-15(26)7-16(30-18)28-10-2-3-11(12(21)6-10)19(23,24)25/h2-5,8-10,33H,6-7H2,1H3,(H2,27,29,30,31);3-11H,1-2H2,(H3,26,27,29,30);3-11H,1H2,2H3,(H3,25,27,28,29);2-9H,1H3,(H3,24,26,27,28);2-7H,1H3,(H3,26,28,29,30).
What are the key properties of 2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-[[2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol;2-(6-ethenyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-[[2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol;2-(6-ethenyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine has a molecular weight of 2160.34 g/mol, XLogP of 24.86, 20 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-[[2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol;2-(6-ethenyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 160851282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).