bis(2-tert-butyl-4-chloro-6-methyl-1H-benzimidazole);2-tert-butyl-4,6-dichloro-1H-benzimidazole;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole)

C122H154Cl4F6N20 — CID 158520494

IUPACbis(2-tert-butyl-4-chloro-6-methyl-1H-benzimidazole);2-tert-butyl-4,6-dichloro-1H-benzimidazole;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole)
SMILESCC(C)(C)c1nc2c(Cl)cc(Cl)cc2[nH]1.Cc1cc(C(F)(F)F)c2nc(C(C)(C)C)[nH]c2c1.Cc1cc(C(F)(F)F)c2nc(C(C)(C)C)[nH]c2c1.Cc1cc(Cl)c2nc(C(C)(C)C)[nH]c2c1.Cc1cc(Cl)c2nc(C(C)(C)C)[nH]c2c1.Cc1cc2nc(C(C)(C)C)[nH]c2cc1C.Cc1ccc2nc(C(C)(C)C)[nH]c2c1.Cc1ccc2nc(C(C)(C)C)[nH]c2c1.Cc1ccc2nc(C(C)(C)C)[nH]c2c1.Cc1ccc2nc(C(C)(C)C)[nH]c2c1
InChIInChI=1S/2C13H15F3N2.C13H18N2.2C12H15ClN2.4C12H16N2.C11H12Cl2N2/c2*1-7-5-8(13(14,15)16)10-9(6-7)17-11(18-10)12(2,3)4;1-8-6-10-11(7-9(8)2)15-12(14-10)13(3,4)5;2*1-7-5-8(13)10-9(6-7)14-11(15-10)12(2,3)4;4*1-8-5-6-9-10(7-8)14-11(13-9)12(2,3)4;1-11(2,3)10-14-8-5-6(12)4-7(13)9(8)15-10/h2*5-6H,1-4H3,(H,17,18);6-7H,1-5H3,(H,14,15);2*5-6H,1-4H3,(H,14,15);4*5-7H,1-4H3,(H,13,14);4-5H,1-3H3,(H,14,15)
InChIKeyHMDSDAGMQLHZRK-UHFFFAOYSA-N
MW2156.51 g/mol
LogP36.34
Rot. Bonds

About bis(2-tert-butyl-4-chloro-6-methyl-1H-benzimidazole);2-tert-butyl-4,6-dichloro-1H-benzimidazole;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole)

bis(2-tert-butyl-4-chloro-6-methyl-1H-benzimidazole);2-tert-butyl-4,6-dichloro-1H-benzimidazole;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole) (PubChem CID 158520494) has the molecular formula C122H154Cl4F6N20 and a molecular weight of 2156.51 g/mol. Its IUPAC name is bis(2-tert-butyl-4-chloro-6-methyl-1H-benzimidazole);2-tert-butyl-4,6-dichloro-1H-benzimidazole;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole).

Molecular Properties

Compound Namebis(2-tert-butyl-4-chloro-6-methyl-1H-benzimidazole);2-tert-butyl-4,6-dichloro-1H-benzimidazole;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole)
PubChem CID158520494
Molecular FormulaC122H154Cl4F6N20
Molecular Weight2156.51 g/mol
Exact Mass2153.13
IUPAC Namebis(2-tert-butyl-4-chloro-6-methyl-1H-benzimidazole);2-tert-butyl-4,6-dichloro-1H-benzimidazole;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole)
SMILESCC(C)(C)c1nc2c(Cl)cc(Cl)cc2[nH]1.Cc1cc(C(F)(F)F)c2nc(C(C)(C)C)[nH]c2c1.Cc1cc(C(F)(F)F)c2nc(C(C)(C)C)[nH]c2c1.Cc1cc(Cl)c2nc(C(C)(C)C)[nH]c2c1.Cc1cc(Cl)c2nc(C(C)(C)C)[nH]c2c1.Cc1cc2nc(C(C)(C)C)[nH]c2cc1C.Cc1ccc2nc(C(C)(C)C)[nH]c2c1.Cc1ccc2nc(C(C)(C)C)[nH]c2c1.Cc1ccc2nc(C(C)(C)C)[nH]c2c1.Cc1ccc2nc(C(C)(C)C)[nH]c2c1
InChIInChI=1S/2C13H15F3N2.C13H18N2.2C12H15ClN2.4C12H16N2.C11H12Cl2N2/c2*1-7-5-8(13(14,15)16)10-9(6-7)17-11(18-10)12(2,3)4;1-8-6-10-11(7-9(8)2)15-12(14-10)13(3,4)5;2*1-7-5-8(13)10-9(6-7)14-11(15-10)12(2,3)4;4*1-8-5-6-9-10(7-8)14-11(13-9)12(2,3)4;1-11(2,3)10-14-8-5-6(12)4-7(13)9(8)15-10/h2*5-6H,1-4H3,(H,17,18);6-7H,1-5H3,(H,14,15);2*5-6H,1-4H3,(H,14,15);4*5-7H,1-4H3,(H,13,14);4-5H,1-3H3,(H,14,15)
InChIKeyHMDSDAGMQLHZRK-UHFFFAOYSA-N
XLogP36.34
TPSA286.80 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002156.51
LogP ≤ 536.34
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Analyze bis(2-tert-butyl-4-chloro-6-methyl-1H-benzimidazole);2-tert-butyl-4,6-dichloro-1H-benzimidazole;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole) 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

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
2-tert-butyl-4,6-difluoro-1H-benzimidazole;2-tert-butyl-4,6-dimethyl-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 157650837
bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);bis(2-tert-butyl-4-chloro-6-methyl-1H-benzimidazole);2-tert-butyl-4,6-dimethyl-1H-benzimidazole;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;tris(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole
CID 157797028
bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);bis(2-tert-butyl-4-chloro-6-methyl-1H-benzimidazole);2-tert-butyl-4,6-difluoro-1H-benzimidazole;bis(2-tert-butyl-4,6-dimethyl-1H-benzimidazole);2-tert-butyl-5,6-dimethyl-1H-benzimidazole;tetrakis(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
CID 158044842
2-tert-butyl-4,6-difluoro-1H-benzimidazole;2-tert-butyl-4,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole
CID 158358488
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
2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;methane;2-methyl-6-[2-[2,3,5,6-tetrafluoro-4-[[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]methyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-[2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 158618844
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
7-chloro-2-methyl-1-(2-methylpropyl)benzimidazole;7-chloro-2-methyl-1-propylbenzimidazole;1-cyclopropyl-2-methyl-6-(trifluoromethyl)benzimidazole;4,5-difluoro-2-methyl-1-propylbenzimidazole;6-fluoro-2-methyl-1H-benzimidazole;5-fluoro-2-methyl-1-propan-2-ylbenzimidazole;6-fluoro-2-methyl-1-propylbenzimidazole;2-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 158663104
N-benzyl-7-chloro-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-benzyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;7-chloro-N-(4-phenylphenyl)-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine;N-decyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-amine
CID 158666141
3-[4-chloro-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-1-oxa-2-azaspiro[4.5]dec-2-ene;3-[4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-1-oxa-2-azaspiro[4.5]dec-2-ene
CID 158987487

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butyl-4-chloro-6-methyl-1H-benzimidazole);2-tert-butyl-4,6-dichloro-1H-benzimidazole;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole)?
The IUPAC name of bis(2-tert-butyl-4-chloro-6-methyl-1H-benzimidazole);2-tert-butyl-4,6-dichloro-1H-benzimidazole;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole) (CID 158520494) is bis(2-tert-butyl-4-chloro-6-methyl-1H-benzimidazole);2-tert-butyl-4,6-dichloro-1H-benzimidazole;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole).
What is the SMILES notation for bis(2-tert-butyl-4-chloro-6-methyl-1H-benzimidazole);2-tert-butyl-4,6-dichloro-1H-benzimidazole;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole)?
The canonical SMILES for bis(2-tert-butyl-4-chloro-6-methyl-1H-benzimidazole);2-tert-butyl-4,6-dichloro-1H-benzimidazole;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole) is CC(C)(C)c1nc2c(Cl)cc(Cl)cc2[nH]1.Cc1cc(C(F)(F)F)c2nc(C(C)(C)C)[nH]c2c1.Cc1cc(C(F)(F)F)c2nc(C(C)(C)C)[nH]c2c1.Cc1cc(Cl)c2nc(C(C)(C)C)[nH]c2c1.Cc1cc(Cl)c2nc(C(C)(C)C)[nH]c2c1.Cc1cc2nc(C(C)(C)C)[nH]c2cc1C.Cc1ccc2nc(C(C)(C)C)[nH]c2c1.Cc1ccc2nc(C(C)(C)C)[nH]c2c1.Cc1ccc2nc(C(C)(C)C)[nH]c2c1.Cc1ccc2nc(C(C)(C)C)[nH]c2c1.
What is the InChIKey of bis(2-tert-butyl-4-chloro-6-methyl-1H-benzimidazole);2-tert-butyl-4,6-dichloro-1H-benzimidazole;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole)?
The InChIKey is HMDSDAGMQLHZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15F3N2.C13H18N2.2C12H15ClN2.4C12H16N2.C11H12Cl2N2/c2*1-7-5-8(13(14,15)16)10-9(6-7)17-11(18-10)12(2,3)4;1-8-6-10-11(7-9(8)2)15-12(14-10)13(3,4)5;2*1-7-5-8(13)10-9(6-7)14-11(15-10)12(2,3)4;4*1-8-5-6-9-10(7-8)14-11(13-9)12(2,3)4;1-11(2,3)10-14-8-5-6(12)4-7(13)9(8)15-10/h2*5-6H,1-4H3,(H,17,18);6-7H,1-5H3,(H,14,15);2*5-6H,1-4H3,(H,14,15);4*5-7H,1-4H3,(H,13,14);4-5H,1-3H3,(H,14,15).
What are the key properties of bis(2-tert-butyl-4-chloro-6-methyl-1H-benzimidazole);2-tert-butyl-4,6-dichloro-1H-benzimidazole;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole)?
bis(2-tert-butyl-4-chloro-6-methyl-1H-benzimidazole);2-tert-butyl-4,6-dichloro-1H-benzimidazole;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole) has a molecular weight of 2156.51 g/mol, XLogP of 36.34, 0 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-tert-butyl-4-chloro-6-methyl-1H-benzimidazole);2-tert-butyl-4,6-dichloro-1H-benzimidazole;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole) is sourced from PubChem (CID 158520494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).