5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(2-ethoxy-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(5-fluoro-2-methoxy-4-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine

C134H140BrFN42O4 — CID 160576412

IUPAC5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(2-ethoxy-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(5-fluoro-2-methoxy-4-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine
SMILESCC(C)(C)Oc1cccc(-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)n1.CCC(C)(C)n1c(-c2cc(Br)cnc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21.CCOc1ncccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.COc1cc(-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)c(F)cn1.COc1cccc(-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)n1.Cc1ccc(-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)c(-n2cncn2)n1
InChIInChI=1S/C24H28N6O.C23H22BrN9.C23H23N9.C22H24N6O.C21H21FN6O.C21H22N6O/c1-23(2,3)30-19-11-10-15(16-13-26-22(25)27-14-16)12-18(19)29-21(30)17-8-7-9-20(28-17)31-24(4,5)6;1-4-23(2,3)33-19-6-5-14(15-9-28-22(25)29-10-15)7-18(19)31-21(33)17-8-16(24)11-27-20(17)32-13-26-12-30-32;1-14-5-7-17(20(29-14)31-13-25-12-28-31)21-30-18-9-15(16-10-26-22(24)27-11-16)6-8-19(18)32(21)23(2,3)4;1-5-29-20-16(7-6-10-24-20)19-27-17-11-14(15-12-25-21(23)26-13-15)8-9-18(17)28(19)22(2,3)4;1-21(2,3)28-17-6-5-12(13-9-25-20(23)26-10-13)7-16(17)27-19(28)14-8-18(29-4)24-11-15(14)22;1-21(2,3)27-17-9-8-13(14-11-23-20(22)24-12-14)10-16(17)26-19(27)15-6-5-7-18(25-15)28-4/h7-14H,1-6H3,(H2,25,26,27);5-13H,4H2,1-3H3,(H2,25,28,29);5-13H,1-4H3,(H2,24,26,27);6-13H,5H2,1-4H3,(H2,23,25,26);5-11H,1-4H3,(H2,23,25,26);5-12H,1-4H3,(H2,22,23,24)
InChIKeyRBFBUWODFQUYNM-UHFFFAOYSA-N
MW2501.79 g/mol
LogP25.71
Rot. Bonds21

About 5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(2-ethoxy-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(5-fluoro-2-methoxy-4-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine

5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(2-ethoxy-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(5-fluoro-2-methoxy-4-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine (PubChem CID 160576412) has the molecular formula C134H140BrFN42O4 and a molecular weight of 2501.79 g/mol. Its IUPAC name is 5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(2-ethoxy-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(5-fluoro-2-methoxy-4-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(2-ethoxy-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(5-fluoro-2-methoxy-4-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine
PubChem CID160576412
Molecular FormulaC134H140BrFN42O4
Molecular Weight2501.79 g/mol
Exact Mass2499.12
IUPAC Name5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(2-ethoxy-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(5-fluoro-2-methoxy-4-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine
SMILESCC(C)(C)Oc1cccc(-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)n1.CCC(C)(C)n1c(-c2cc(Br)cnc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21.CCOc1ncccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.COc1cc(-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)c(F)cn1.COc1cccc(-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)n1.Cc1ccc(-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)c(-n2cncn2)n1
InChIInChI=1S/C24H28N6O.C23H22BrN9.C23H23N9.C22H24N6O.C21H21FN6O.C21H22N6O/c1-23(2,3)30-19-11-10-15(16-13-26-22(25)27-14-16)12-18(19)29-21(30)17-8-7-9-20(28-17)31-24(4,5)6;1-4-23(2,3)33-19-6-5-14(15-9-28-22(25)29-10-15)7-18(19)31-21(33)17-8-16(24)11-27-20(17)32-13-26-12-30-32;1-14-5-7-17(20(29-14)31-13-25-12-28-31)21-30-18-9-15(16-10-26-22(24)27-11-16)6-8-19(18)32(21)23(2,3)4;1-5-29-20-16(7-6-10-24-20)19-27-17-11-14(15-12-25-21(23)26-13-15)8-9-18(17)28(19)22(2,3)4;1-21(2,3)28-17-6-5-12(13-9-25-20(23)26-10-13)7-16(17)27-19(28)14-8-18(29-4)24-11-15(14)22;1-21(2,3)27-17-9-8-13(14-11-23-20(22)24-12-14)10-16(17)26-19(27)15-6-5-7-18(25-15)28-4/h7-14H,1-6H3,(H2,25,26,27);5-13H,4H2,1-3H3,(H2,25,28,29);5-13H,1-4H3,(H2,24,26,27);6-13H,5H2,1-4H3,(H2,23,25,26);5-11H,1-4H3,(H2,23,25,26);5-12H,1-4H3,(H2,22,23,24)
InChIKeyRBFBUWODFQUYNM-UHFFFAOYSA-N
XLogP25.71
TPSA593.40 Ų
H-Bond Donors6
H-Bond Acceptors46
Rotatable Bonds21
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002501.79
LogP ≤ 525.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1046

Analyze 5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(2-ethoxy-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(5-fluoro-2-methoxy-4-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine with MolForge

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Related Compounds

4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-fluoropyrimidine-4,6-diamine;2-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
CID 157351487
3-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-1,3,5-triazine-2,4-diamine;3-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine;3-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
CID 157910137
N-[4-(difluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine;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
CID 158071324
4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(2,6,8-trimethylimidazo[1,2-a]pyrazin-3-yl)pyrimidine-4,6-diamine;5-fluoro-4-N-[4-(trifluoromethyl)phenyl]-2-(2,6,8-trimethylimidazo[1,2-a]pyrazin-3-yl)pyrimidine-4,6-diamine;5-methyl-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 159274557
2-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(2,6,8-trimethylimidazo[1,2-a]pyrazin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 159439522
N-(4-bromophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]pyridin-2-amine;N-(4-methoxyphenyl)-6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;4-methoxy-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine
CID 159557717
6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 159583810
2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 159672978
6-(2-cyclopropyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 159895286
3-(1,1-Difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 160010351
N,N-dimethyl-2-[3-[6-methyl-9-(4-methyl-2-pyridinyl)-3-(trifluoromethyl)-1H-carbazol-1-id-2-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]oxypyridin-4-amine;hexakis(platinum(2+));2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-(1,2,4,5-tetrazin-3-yl)-1H-carbazol-1-ide;2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-(1,2,4-triazin-3-yl)-1H-carbazol-1-ide;2-(3-pyrimidin-2-yloxybenzene-2-id-1-yl)-9-(1,2,4,5-tetrazin-3-yl)-1H-carbazol-1-ide;9-(1,2,4,5-tetrazin-3-yl)-2-[3-(1,2,4,5-tetrazin-3-yloxy)benzene-2-id-1-yl]-1H-carbazol-1-ide;9-(1,2,4,5-tetrazin-3-yl)-2-[3-(1,2,4-triazin-3-yloxy)benzene-2-id-1-yl]-1H-carbazol-1-ide
CID 160259054
2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-[2-(difluoromethyl)benzimidazol-1-yl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 160695334

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(2-ethoxy-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(5-fluoro-2-methoxy-4-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(2-ethoxy-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(5-fluoro-2-methoxy-4-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine (CID 160576412) is 5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(2-ethoxy-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(5-fluoro-2-methoxy-4-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(2-ethoxy-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(5-fluoro-2-methoxy-4-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(2-ethoxy-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(5-fluoro-2-methoxy-4-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine is CC(C)(C)Oc1cccc(-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)n1.CCC(C)(C)n1c(-c2cc(Br)cnc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21.CCOc1ncccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.COc1cc(-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)c(F)cn1.COc1cccc(-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)n1.Cc1ccc(-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)c(-n2cncn2)n1.
What is the InChIKey of 5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(2-ethoxy-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(5-fluoro-2-methoxy-4-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine?
The InChIKey is RBFBUWODFQUYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O.C23H22BrN9.C23H23N9.C22H24N6O.C21H21FN6O.C21H22N6O/c1-23(2,3)30-19-11-10-15(16-13-26-22(25)27-14-16)12-18(19)29-21(30)17-8-7-9-20(28-17)31-24(4,5)6;1-4-23(2,3)33-19-6-5-14(15-9-28-22(25)29-10-15)7-18(19)31-21(33)17-8-16(24)11-27-20(17)32-13-26-12-30-32;1-14-5-7-17(20(29-14)31-13-25-12-28-31)21-30-18-9-15(16-10-26-22(24)27-11-16)6-8-19(18)32(21)23(2,3)4;1-5-29-20-16(7-6-10-24-20)19-27-17-11-14(15-12-25-21(23)26-13-15)8-9-18(17)28(19)22(2,3)4;1-21(2,3)28-17-6-5-12(13-9-25-20(23)26-10-13)7-16(17)27-19(28)14-8-18(29-4)24-11-15(14)22;1-21(2,3)27-17-9-8-13(14-11-23-20(22)24-12-14)10-16(17)26-19(27)15-6-5-7-18(25-15)28-4/h7-14H,1-6H3,(H2,25,26,27);5-13H,4H2,1-3H3,(H2,25,28,29);5-13H,1-4H3,(H2,24,26,27);6-13H,5H2,1-4H3,(H2,23,25,26);5-11H,1-4H3,(H2,23,25,26);5-12H,1-4H3,(H2,22,23,24).
What are the key properties of 5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(2-ethoxy-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(5-fluoro-2-methoxy-4-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine?
5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(2-ethoxy-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(5-fluoro-2-methoxy-4-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine has a molecular weight of 2501.79 g/mol, XLogP of 25.71, 21 rotatable bonds, 6 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(2-ethoxy-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(5-fluoro-2-methoxy-4-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 160576412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).