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

C102H81F19N30 — CID 159653551

IUPAC2-(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
SMILESCCc1nc2ccc(F)cc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1cc2nc(C)n(-c3nc(N)cc(Nc4ccc(C(F)(F)F)cc4)n3)c2cc1C.Cc1nc2ccccc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)c(F)c2)n1.Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-n2c(C3CC3)nc3cc(F)ccc32)n1.Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-n2c(C3CC3)nc3ccc(F)cc32)n1
InChIInChI=1S/2C21H16F4N6.C21H19F3N6.C20H16F4N6.C19H14F4N6/c22-13-5-8-16-15(9-13)28-19(11-1-2-11)31(16)20-29-17(26)10-18(30-20)27-14-6-3-12(4-7-14)21(23,24)25;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;1-11-8-16-17(9-12(11)2)30(13(3)26-16)20-28-18(25)10-19(29-20)27-15-6-4-14(5-7-15)21(22,23)24;1-2-18-27-14-8-5-12(21)9-15(14)30(18)19-28-16(25)10-17(29-19)26-13-6-3-11(4-7-13)20(22,23)24;1-10-25-14-4-2-3-5-15(14)29(10)18-27-16(24)9-17(28-18)26-11-6-7-12(13(20)8-11)19(21,22)23/h2*3-11H,1-2H2,(H3,26,27,29,30);4-10H,1-3H3,(H3,25,27,28,29);3-10H,2H2,1H3,(H3,25,26,28,29);2-9H,1H3,(H3,24,26,27,28)
InChIKeyMRWOBBMDRNOLFM-UHFFFAOYSA-N
MW2087.94 g/mol
LogP24.91
Rot. Bonds18

About 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

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 (PubChem CID 159653551) has the molecular formula C102H81F19N30 and a molecular weight of 2087.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID159653551
Molecular FormulaC102H81F19N30
Molecular Weight2087.94 g/mol
Exact Mass2086.70
IUPAC Name2-(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
SMILESCCc1nc2ccc(F)cc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1cc2nc(C)n(-c3nc(N)cc(Nc4ccc(C(F)(F)F)cc4)n3)c2cc1C.Cc1nc2ccccc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)c(F)c2)n1.Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-n2c(C3CC3)nc3cc(F)ccc32)n1.Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-n2c(C3CC3)nc3ccc(F)cc32)n1
InChIInChI=1S/2C21H16F4N6.C21H19F3N6.C20H16F4N6.C19H14F4N6/c22-13-5-8-16-15(9-13)28-19(11-1-2-11)31(16)20-29-17(26)10-18(30-20)27-14-6-3-12(4-7-14)21(23,24)25;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;1-11-8-16-17(9-12(11)2)30(13(3)26-16)20-28-18(25)10-19(29-20)27-15-6-4-14(5-7-15)21(22,23)24;1-2-18-27-14-8-5-12(21)9-15(14)30(18)19-28-16(25)10-17(29-19)26-13-6-3-11(4-7-13)20(22,23)24;1-10-25-14-4-2-3-5-15(14)29(10)18-27-16(24)9-17(28-18)26-11-6-7-12(13(20)8-11)19(21,22)23/h2*3-11H,1-2H2,(H3,26,27,29,30);4-10H,1-3H3,(H3,25,27,28,29);3-10H,2H2,1H3,(H3,25,26,28,29);2-9H,1H3,(H3,24,26,27,28)
InChIKeyMRWOBBMDRNOLFM-UHFFFAOYSA-N
XLogP24.91
TPSA408.25 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds18
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002087.94
LogP ≤ 524.91
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze 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 with MolForge

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Related Compounds

5-[9-[2-[3,6-Bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyano-5-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[2-cyano-6-(trifluoromethyl)phenyl]-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)-7,8-dihydrocarbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile
CID 137381576
5-[9-[2-[3,6-Bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyano-5-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile
CID 137386935
5-[9-[2-[3,6-Bis(3,5-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[4-[9-[4-[2,6-bis(trifluoromethyl)phenyl]-5-cyano-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile
CID 137392917
11-(3-Fluorophenyl)-3-[4-[4-[4-[14-(2-fluorophenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-[7-(2-fluorophenyl)indolo[2,3-b]carbazol-5-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]-12-[4-[11-(3-fluorophenyl)indolo[2,3-a]carbazol-12-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 139479470
5-[9-[2-[3,6-Bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-(trifluoromethyl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[4-(3-cyanophenyl)-2-[4-[9-[4-(3,5-dicyanophenyl)-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile
CID 146238239
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)phenyl]-12-[4-[4-[4-[4-[4-[4-[12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazol-11-yl]-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazole
CID 146411911
11-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-12-[4-[4-[3-[3-[4-[4-[11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)phenyl]indolo[2,3-a]carbazol-12-yl]-2-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(trifluoromethyl)phenyl]indolo[2,3-a]carbazole
CID 146411984
9-[2-[2,7-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,3,4,5,6-pentafluorophenyl)-4-(trifluoromethyl)phenyl]-2-(2,6-diphenylpyrimidin-4-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 153511395
5-fluoro-2-(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
CID 154975212
5-[3-[4-[3,5-Bis[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole
CID 155174072
9-[2-[3,6-Bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-6-[3,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)carbazole;2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole
CID 157091668
9-[3-[2,7-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile;4-[9-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-6-phenyl-1,3,5-triazine-2-carbonitrile
CID 157114963

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nc2ccc(F)cc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1cc2nc(C)n(-c3nc(N)cc(Nc4ccc(C(F)(F)F)cc4)n3)c2cc1C.Cc1nc2ccccc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)c(F)c2)n1.Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-n2c(C3CC3)nc3cc(F)ccc32)n1.Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-n2c(C3CC3)nc3ccc(F)cc32)n1.
What is the InChIKey of 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?
The InChIKey is MRWOBBMDRNOLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H16F4N6.C21H19F3N6.C20H16F4N6.C19H14F4N6/c22-13-5-8-16-15(9-13)28-19(11-1-2-11)31(16)20-29-17(26)10-18(30-20)27-14-6-3-12(4-7-14)21(23,24)25;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;1-11-8-16-17(9-12(11)2)30(13(3)26-16)20-28-18(25)10-19(29-20)27-15-6-4-14(5-7-15)21(22,23)24;1-2-18-27-14-8-5-12(21)9-15(14)30(18)19-28-16(25)10-17(29-19)26-13-6-3-11(4-7-13)20(22,23)24;1-10-25-14-4-2-3-5-15(14)29(10)18-27-16(24)9-17(28-18)26-11-6-7-12(13(20)8-11)19(21,22)23/h2*3-11H,1-2H2,(H3,26,27,29,30);4-10H,1-3H3,(H3,25,27,28,29);3-10H,2H2,1H3,(H3,25,26,28,29);2-9H,1H3,(H3,24,26,27,28).
What are the key properties of 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?
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 has a molecular weight of 2087.94 g/mol, XLogP of 24.91, 18 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159653551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).