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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).