1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole

C25H28N2 — CID 66843107

IUPAC1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole
SMILESCc1cc(C)c(N2CN(c3c(C)cc(C)cc3C)c3ccccc32)c(C)c1
InChIInChI=1S/C25H28N2/c1-16-11-18(3)24(19(4)12-16)26-15-27(23-10-8-7-9-22(23)26)25-20(5)13-17(2)14-21(25)6/h7-14H,15H2,1-6H3
InChIKeyBJJLKKJFPKPVKZ-UHFFFAOYSA-N
MW356.51 g/mol
LogP6.78
Rot. Bonds2

About 1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole

1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole (PubChem CID 66843107) has the molecular formula C25H28N2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole.

Molecular Properties

Compound Name1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole
PubChem CID66843107
Molecular FormulaC25H28N2
Molecular Weight356.51 g/mol
Exact Mass356.23
IUPAC Name1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole
SMILESCc1cc(C)c(N2CN(c3c(C)cc(C)cc3C)c3ccccc32)c(C)c1
InChIInChI=1S/C25H28N2/c1-16-11-18(3)24(19(4)12-16)26-15-27(23-10-8-7-9-22(23)26)25-20(5)13-17(2)14-21(25)6/h7-14H,15H2,1-6H3
InChIKeyBJJLKKJFPKPVKZ-UHFFFAOYSA-N
XLogP6.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007407
CID 59380818
CID 59380818
4,5-dichloro-1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;4,5-dichloro-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole
CID 159633968
4-(chloromethyl)-5-methyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole
CID 171378130
1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole
CID 171371589
9-[2-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]carbazol-9-yl]-2,5,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 176782198
(4S,5S)-4,5-diphenyl-1-(2-phenylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidine
CID 134942689
1-[3-[4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]-5-(trifluoromethyl)phenyl]-5,6-dimethyl-3-(2,4,6-trimethylphenyl)-2H-benzimidazole
CID 164730615
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-one
CID 101485045
3-methyl-10-(2,4,6-trimethylphenyl)phenoselenazine
CID 59573436
hafnium(4+);methanidylbenzene;[1-(2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]azanide
CID 140748513
9-phenyl-3-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-1-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 176782592

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole?
The IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole (CID 66843107) is 1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole.
What is the SMILES notation for 1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole?
The canonical SMILES for 1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole is Cc1cc(C)c(N2CN(c3c(C)cc(C)cc3C)c3ccccc32)c(C)c1.
What is the InChIKey of 1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole?
The InChIKey is BJJLKKJFPKPVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2/c1-16-11-18(3)24(19(4)12-16)26-15-27(23-10-8-7-9-22(23)26)25-20(5)13-17(2)14-21(25)6/h7-14H,15H2,1-6H3.
What are the key properties of 1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole?
1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole has a molecular weight of 356.51 g/mol, XLogP of 6.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole is sourced from PubChem (CID 66843107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).