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

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Related Compounds

4,7-bis(4-methylphenyl)-2-phenyl-1H-benzimidazole
CID 139040206
4,5-dimethyl-2-phenyl-1H-benzo[e]benzimidazole
CID 67635510
2-phenyl-1H-phenanthro[9,10-d]imidazole
CID 626372
9-[2-(4-methylphenyl)phenyl]phenanthrene
CID 140958639
2-(4-fluorophenyl)-1H-phenanthro[9,10-d]imidazole
CID 699593
4,5-bis(4-methylphenyl)-2-phenanthren-9-yl-1H-imidazole
CID 71415012
2-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]-1H-phenanthro[9,10-d]imidazole
CID 3122497
3-(4-methylphenyl)-1,2-diphenylnaphthalene
CID 178068265
3,21-diphenyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 10645762
2-(1H-indol-3-yl)-5-methyl-1H-phenanthro[9,10-d]imidazole
CID 88972587
3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one
CID 86297686
2-(4-diphenylphosphorylphenyl)-1H-phenanthro[9,10-d]imidazole
CID 175345499

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).