1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;1-[4-butan-2-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole

C105H75Cl3F9N29 — CID 161171832

IUPAC1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;1-[4-butan-2-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole
SMILESCCC(C)c1nc(-n2c(C)nc3ccccc32)nc(-n2c(C)nc3ccccc32)n1.Cc1nc2cc(Cl)ccc2n1-c1nc(-n2c(C)nc3cc(Cl)ccc32)nc(-n2c(C)nc3cc(Cl)ccc32)n1.Cc1nc2ccccc2n1-c1ccccc1-c1ccccc1-n1c(C)nc2ccccc21.FC(F)(F)c1nc2ccccc2n1-c1nc(-n2c(C(F)(F)F)nc3ccccc32)nc(-n2c(C(F)(F)F)nc3ccccc32)n1
InChIInChI=1S/C28H22N4.C27H18Cl3N9.C27H12F9N9.C23H23N7/c1-19-29-23-13-5-9-17-27(23)31(19)25-15-7-3-11-21(25)22-12-4-8-16-26(22)32-20(2)30-24-14-6-10-18-28(24)32;1-13-31-19-10-16(28)4-7-22(19)37(13)25-34-26(38-14(2)32-20-11-17(29)5-8-23(20)38)36-27(35-25)39-15(3)33-21-12-18(30)6-9-24(21)39;28-25(29,30)19-37-13-7-1-4-10-16(13)43(19)22-40-23(44-17-11-5-2-8-14(17)38-20(44)26(31,32)33)42-24(41-22)45-18-12-6-3-9-15(18)39-21(45)27(34,35)36;1-5-14(2)21-26-22(29-15(3)24-17-10-6-8-12-19(17)29)28-23(27-21)30-16(4)25-18-11-7-9-13-20(18)30/h3-18H,1-2H3;4-12H,1-3H3;1-12H;6-14H,5H2,1-4H3
InChIKeyURHAAKUZCJBVBU-UHFFFAOYSA-N
MW2020.30 g/mol
LogP25.05
Rot. Bonds13

About 1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;1-[4-butan-2-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole

1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;1-[4-butan-2-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole (PubChem CID 161171832) has the molecular formula C105H75Cl3F9N29 and a molecular weight of 2020.30 g/mol. Its IUPAC name is 1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;1-[4-butan-2-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;1-[4-butan-2-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole
PubChem CID161171832
Molecular FormulaC105H75Cl3F9N29
Molecular Weight2020.30 g/mol
Exact Mass2017.57
IUPAC Name1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;1-[4-butan-2-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole
SMILESCCC(C)c1nc(-n2c(C)nc3ccccc32)nc(-n2c(C)nc3ccccc32)n1.Cc1nc2cc(Cl)ccc2n1-c1nc(-n2c(C)nc3cc(Cl)ccc32)nc(-n2c(C)nc3cc(Cl)ccc32)n1.Cc1nc2ccccc2n1-c1ccccc1-c1ccccc1-n1c(C)nc2ccccc21.FC(F)(F)c1nc2ccccc2n1-c1nc(-n2c(C(F)(F)F)nc3ccccc32)nc(-n2c(C(F)(F)F)nc3ccccc32)n1
InChIInChI=1S/C28H22N4.C27H18Cl3N9.C27H12F9N9.C23H23N7/c1-19-29-23-13-5-9-17-27(23)31(19)25-15-7-3-11-21(25)22-12-4-8-16-26(22)32-20(2)30-24-14-6-10-18-28(24)32;1-13-31-19-10-16(28)4-7-22(19)37(13)25-34-26(38-14(2)32-20-11-17(29)5-8-23(20)38)36-27(35-25)39-15(3)33-21-12-18(30)6-9-24(21)39;28-25(29,30)19-37-13-7-1-4-10-16(13)43(19)22-40-23(44-17-11-5-2-8-14(17)38-20(44)26(31,32)33)42-24(41-22)45-18-12-6-3-9-15(18)39-21(45)27(34,35)36;1-5-14(2)21-26-22(29-15(3)24-17-10-6-8-12-19(17)29)28-23(27-21)30-16(4)25-18-11-7-9-13-20(18)30/h3-18H,1-2H3;4-12H,1-3H3;1-12H;6-14H,5H2,1-4H3
InChIKeyURHAAKUZCJBVBU-UHFFFAOYSA-N
XLogP25.05
TPSA294.21 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds13
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002020.30
LogP ≤ 525.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;1-[4-butan-2-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole with MolForge

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Related Compounds

3,6-Ditert-butyl-9-[2-[5-[4-[3-[2-[9-[2-[2-(3-tert-butylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylpropyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[3-tert-butyl-6-[2-methyl-1-[3-[4-phenyl-6-[4-(3-phenylcarbazol-9-yl)-3-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propan-2-yl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole
CID 138554657
bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);2-tert-butyl-4,6-difluoro-1H-benzimidazole;2-tert-butyl-4,6-dimethyl-1H-benzimidazole;tris(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole
CID 157201738
bis(6-chloro-2-[(1S)-1-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propyl]-1H-benzimidazole);bis(6-chloro-2-[(1R)-1-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propyl]-1H-benzimidazole)
CID 157224700
1-[4,6-Bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis(2,5-dimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,5-dimethylbenzimidazole;9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole;bis(3-[4,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)-1,3,5-triazin-2-yl]-2-methylimidazo[4,5-b]pyridine);1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole
CID 157458102
bis(6-chloro-2-[[4-(4-fluorophenyl)cyclohexyl]methyl]-1H-benzimidazole);6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole;6-chloro-2-[[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]methyl]-1H-benzimidazole
CID 157477981
6-(5-chloro-2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 157713771
bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole)
CID 158499624
bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);2-tert-butyl-4,6-dimethyl-1H-benzimidazole;tris(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole
CID 158599234
bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);2-tert-butyl-4,6-difluoro-1H-benzimidazole;2-tert-butyl-4,6-dimethyl-1H-benzimidazole;tris(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole
CID 158644786
3-Tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole;3,6-ditert-butyl-9-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]-4-(trifluoromethyl)phenyl]-3-phenylcarbazole
CID 158940414
bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);2-tert-butyl-4,6-difluoro-1H-benzimidazole;bis(2-tert-butyl-4,6-dimethyl-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole
CID 159256590
CID 159296869
CID 159296869

Frequently Asked Questions

What is the IUPAC name of 1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;1-[4-butan-2-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole?
The IUPAC name of 1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;1-[4-butan-2-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole (CID 161171832) is 1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;1-[4-butan-2-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole.
What is the SMILES notation for 1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;1-[4-butan-2-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole?
The canonical SMILES for 1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;1-[4-butan-2-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole is CCC(C)c1nc(-n2c(C)nc3ccccc32)nc(-n2c(C)nc3ccccc32)n1.Cc1nc2cc(Cl)ccc2n1-c1nc(-n2c(C)nc3cc(Cl)ccc32)nc(-n2c(C)nc3cc(Cl)ccc32)n1.Cc1nc2ccccc2n1-c1ccccc1-c1ccccc1-n1c(C)nc2ccccc21.FC(F)(F)c1nc2ccccc2n1-c1nc(-n2c(C(F)(F)F)nc3ccccc32)nc(-n2c(C(F)(F)F)nc3ccccc32)n1.
What is the InChIKey of 1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;1-[4-butan-2-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole?
The InChIKey is URHAAKUZCJBVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4.C27H18Cl3N9.C27H12F9N9.C23H23N7/c1-19-29-23-13-5-9-17-27(23)31(19)25-15-7-3-11-21(25)22-12-4-8-16-26(22)32-20(2)30-24-14-6-10-18-28(24)32;1-13-31-19-10-16(28)4-7-22(19)37(13)25-34-26(38-14(2)32-20-11-17(29)5-8-23(20)38)36-27(35-25)39-15(3)33-21-12-18(30)6-9-24(21)39;28-25(29,30)19-37-13-7-1-4-10-16(13)43(19)22-40-23(44-17-11-5-2-8-14(17)38-20(44)26(31,32)33)42-24(41-22)45-18-12-6-3-9-15(18)39-21(45)27(34,35)36;1-5-14(2)21-26-22(29-15(3)24-17-10-6-8-12-19(17)29)28-23(27-21)30-16(4)25-18-11-7-9-13-20(18)30/h3-18H,1-2H3;4-12H,1-3H3;1-12H;6-14H,5H2,1-4H3.
What are the key properties of 1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;1-[4-butan-2-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole?
1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;1-[4-butan-2-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole has a molecular weight of 2020.30 g/mol, XLogP of 25.05, 13 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,6-bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;1-[4-butan-2-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole is sourced from PubChem (CID 161171832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).