1-[4-bromo-2-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole

C32H21BrN4 — CID 141480526

IUPAC1-[4-bromo-2-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole
SMILESBrc1ccc(-n2c(-c3ccccc3)nc3ccccc32)c(-n2c(-c3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C32H21BrN4/c33-24-19-20-29(36-27-17-9-7-15-25(27)34-31(36)22-11-3-1-4-12-22)30(21-24)37-28-18-10-8-16-26(28)35-32(37)23-13-5-2-6-14-23/h1-21H
InChIKeyGWJYMRNGHGOAFJ-UHFFFAOYSA-N
MW541.45 g/mol
LogP8.46
Rot. Bonds4

About 1-[4-bromo-2-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole

1-[4-bromo-2-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole (PubChem CID 141480526) has the molecular formula C32H21BrN4 and a molecular weight of 541.45 g/mol. Its IUPAC name is 1-[4-bromo-2-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[4-bromo-2-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole
PubChem CID141480526
Molecular FormulaC32H21BrN4
Molecular Weight541.45 g/mol
Exact Mass540.09
IUPAC Name1-[4-bromo-2-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole
SMILESBrc1ccc(-n2c(-c3ccccc3)nc3ccccc32)c(-n2c(-c3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C32H21BrN4/c33-24-19-20-29(36-27-17-9-7-15-25(27)34-31(36)22-11-3-1-4-12-22)30(21-24)37-28-18-10-8-16-26(28)35-32(37)23-13-5-2-6-14-23/h1-21H
InChIKeyGWJYMRNGHGOAFJ-UHFFFAOYSA-N
XLogP8.46
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.45
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
2-bromoindolo[1,2-a]benzimidazol-11-one
CID 146638668
1-(2-methylphenyl)-2-phenylbenzimidazole
CID 59359524
2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)benzo[c]phenanthren-8-yl]benzimidazole
CID 118011357
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58037722
2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole
CID 130287427
1-naphthalen-2-yl-2-phenylbenzimidazole
CID 134454984
2-phenyl-1-[2-[4-[2-(2-phenylbenzimidazol-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 155186007
2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole
CID 23399455
1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole
CID 155179256
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole
CID 155173927

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[4-bromo-2-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole (CID 141480526) is 1-[4-bromo-2-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[4-bromo-2-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[4-bromo-2-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole is Brc1ccc(-n2c(-c3ccccc3)nc3ccccc32)c(-n2c(-c3ccccc3)nc3ccccc32)c1.
What is the InChIKey of 1-[4-bromo-2-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole?
The InChIKey is GWJYMRNGHGOAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21BrN4/c33-24-19-20-29(36-27-17-9-7-15-25(27)34-31(36)22-11-3-1-4-12-22)30(21-24)37-28-18-10-8-16-26(28)35-32(37)23-13-5-2-6-14-23/h1-21H.
What are the key properties of 1-[4-bromo-2-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole?
1-[4-bromo-2-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole has a molecular weight of 541.45 g/mol, XLogP of 8.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole is sourced from PubChem (CID 141480526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).