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-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

C80H61F19N24O — CID 160755143

IUPAC2-(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-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESCCc1ccc2nc(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(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2c(F)cc(F)cc2n1-c1nc(NCCO)cc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C21H17F5N6O.C21H19F3N6.C19H12F6N6.C19H13F5N6/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;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;1-8-27-17-13(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;1-9-26-17-13(21)6-11(20)7-14(17)30(9)18-28-15(25)8-16(29-18)27-12-4-2-10(3-5-12)19(22,23)24/h2-5,8-10,33H,6-7H2,1H3,(H2,27,29,30,31);4-11H,3H2,1-2H3,(H3,25,27,28,29);2-7H,1H3,(H3,26,28,29,30);2-8H,1H3,(H3,25,27,28,29)
InChIKeyRXIFRFVWQWVFPU-UHFFFAOYSA-N
MW1735.50 g/mol
LogP19.23
Rot. Bonds16

About 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-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-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-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (PubChem CID 160755143) has the molecular formula C80H61F19N24O and a molecular weight of 1735.50 g/mol. Its IUPAC name is 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-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(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-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
PubChem CID160755143
Molecular FormulaC80H61F19N24O
Molecular Weight1735.50 g/mol
Exact Mass1734.52
IUPAC Name2-(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-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESCCc1ccc2nc(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(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2c(F)cc(F)cc2n1-c1nc(NCCO)cc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C21H17F5N6O.C21H19F3N6.C19H12F6N6.C19H13F5N6/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;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;1-8-27-17-13(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;1-9-26-17-13(21)6-11(20)7-14(17)30(9)18-28-15(25)8-16(29-18)27-12-4-2-10(3-5-12)19(22,23)24/h2-5,8-10,33H,6-7H2,1H3,(H2,27,29,30,31);4-11H,3H2,1-2H3,(H3,25,27,28,29);2-7H,1H3,(H3,26,28,29,30);2-8H,1H3,(H3,25,27,28,29)
InChIKeyRXIFRFVWQWVFPU-UHFFFAOYSA-N
XLogP19.23
TPSA332.84 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds16
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001735.50
LogP ≤ 519.23
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Analyze 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-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine 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

1-[4-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]piperidin-1-yl]-2-methylpropan-2-ol
CID 124114586
US10696678, Example 42
CID 129102578
2-[2-[2-[[4-(3-tert-butyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethanol
CID 130196902
Abemaciclib metabolite M20
CID 139600311
6-[[2-[4-[[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]-1-piperidinyl]ethyl]amino]-9H-purine-9-ethanol
CID 13983098
2-(2-Difluoromethylbenzimidazol-1-yl)-6-morpholino-4-(4-piperazin-1-ylphenyl)pyrimidine
CID 24805167
N-[[4-(dibenzylamino)cyclohexyl]methyl]-4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-amine
CID 68041355
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[[4-[methyl(1-phenylethyl)amino]cyclohexyl]methyl]-6-morpholin-4-ylpyrimidin-2-amine
CID 68041367
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[[4-[2-(4-fluorophenyl)ethyl-methylamino]cyclohexyl]methyl]-6-morpholin-4-ylpyrimidin-2-amine
CID 68041374
6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-yl-N-[[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]cyclohexyl]methyl]pyrimidin-4-amine
CID 68041661
6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[4-[(3R)-3-(methoxymethyl)morpholin-4-yl]phenyl]ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 68378953
6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[4-[3-(methoxymethyl)morpholin-4-yl]phenyl]ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 68378954

Frequently Asked Questions

What is the IUPAC name of 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-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 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-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (CID 160755143) is 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-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 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-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 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-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is CCc1ccc2nc(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(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2c(F)cc(F)cc2n1-c1nc(NCCO)cc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 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-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The InChIKey is RXIFRFVWQWVFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F5N6O.C21H19F3N6.C19H12F6N6.C19H13F5N6/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;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;1-8-27-17-13(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;1-9-26-17-13(21)6-11(20)7-14(17)30(9)18-28-15(25)8-16(29-18)27-12-4-2-10(3-5-12)19(22,23)24/h2-5,8-10,33H,6-7H2,1H3,(H2,27,29,30,31);4-11H,3H2,1-2H3,(H3,25,27,28,29);2-7H,1H3,(H3,26,28,29,30);2-8H,1H3,(H3,25,27,28,29).
What are the key properties of 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-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-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-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine has a molecular weight of 1735.50 g/mol, XLogP of 19.23, 16 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 160755143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).