2,4-bis(4-methylphenyl)-1H-benzo[e]benzimidazole

C25H20N2 — CID 141373020

IUPAC2,4-bis(4-methylphenyl)-1H-benzo[e]benzimidazole
SMILESCc1ccc(-c2nc3c(-c4ccc(C)cc4)cc4ccccc4c3[nH]2)cc1
InChIInChI=1S/C25H20N2/c1-16-7-11-18(12-8-16)22-15-20-5-3-4-6-21(20)23-24(22)27-25(26-23)19-13-9-17(2)10-14-19/h3-15H,1-2H3,(H,26,27)
InChIKeyFYAJIRHTJADMOZ-UHFFFAOYSA-N
MW348.45 g/mol
LogP6.67
Rot. Bonds2

About 2,4-bis(4-methylphenyl)-1H-benzo[e]benzimidazole

2,4-bis(4-methylphenyl)-1H-benzo[e]benzimidazole (PubChem CID 141373020) has the molecular formula C25H20N2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2,4-bis(4-methylphenyl)-1H-benzo[e]benzimidazole.

Molecular Properties

Compound Name2,4-bis(4-methylphenyl)-1H-benzo[e]benzimidazole
PubChem CID141373020
Molecular FormulaC25H20N2
Molecular Weight348.45 g/mol
Exact Mass348.16
IUPAC Name2,4-bis(4-methylphenyl)-1H-benzo[e]benzimidazole
SMILESCc1ccc(-c2nc3c(-c4ccc(C)cc4)cc4ccccc4c3[nH]2)cc1
InChIInChI=1S/C25H20N2/c1-16-7-11-18(12-8-16)22-15-20-5-3-4-6-21(20)23-24(22)27-25(26-23)19-13-9-17(2)10-14-19/h3-15H,1-2H3,(H,26,27)
InChIKeyFYAJIRHTJADMOZ-UHFFFAOYSA-N
XLogP6.67
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,4-bis(4-methylphenyl)-1H-benzo[e]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 2,4-bis(4-methylphenyl)-1H-benzo[e]benzimidazole?
The IUPAC name of 2,4-bis(4-methylphenyl)-1H-benzo[e]benzimidazole (CID 141373020) is 2,4-bis(4-methylphenyl)-1H-benzo[e]benzimidazole.
What is the SMILES notation for 2,4-bis(4-methylphenyl)-1H-benzo[e]benzimidazole?
The canonical SMILES for 2,4-bis(4-methylphenyl)-1H-benzo[e]benzimidazole is Cc1ccc(-c2nc3c(-c4ccc(C)cc4)cc4ccccc4c3[nH]2)cc1.
What is the InChIKey of 2,4-bis(4-methylphenyl)-1H-benzo[e]benzimidazole?
The InChIKey is FYAJIRHTJADMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2/c1-16-7-11-18(12-8-16)22-15-20-5-3-4-6-21(20)23-24(22)27-25(26-23)19-13-9-17(2)10-14-19/h3-15H,1-2H3,(H,26,27).
What are the key properties of 2,4-bis(4-methylphenyl)-1H-benzo[e]benzimidazole?
2,4-bis(4-methylphenyl)-1H-benzo[e]benzimidazole has a molecular weight of 348.45 g/mol, XLogP of 6.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-methylphenyl)-1H-benzo[e]benzimidazole is sourced from PubChem (CID 141373020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).