2-(4-bromo-2-phenylmethoxyphenyl)-1-phenylbenzimidazole

C26H19BrN2O — CID 121392547

IUPAC2-(4-bromo-2-phenylmethoxyphenyl)-1-phenylbenzimidazole
SMILESBrc1ccc(-c2nc3ccccc3n2-c2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C26H19BrN2O/c27-20-15-16-22(25(17-20)30-18-19-9-3-1-4-10-19)26-28-23-13-7-8-14-24(23)29(26)21-11-5-2-6-12-21/h1-17H,18H2
InChIKeyVOHDNUBPSRDIJM-UHFFFAOYSA-N
MW455.36 g/mol
LogP7.03
Rot. Bonds5

About 2-(4-bromo-2-phenylmethoxyphenyl)-1-phenylbenzimidazole

2-(4-bromo-2-phenylmethoxyphenyl)-1-phenylbenzimidazole (PubChem CID 121392547) has the molecular formula C26H19BrN2O and a molecular weight of 455.36 g/mol. Its IUPAC name is 2-(4-bromo-2-phenylmethoxyphenyl)-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-(4-bromo-2-phenylmethoxyphenyl)-1-phenylbenzimidazole
PubChem CID121392547
Molecular FormulaC26H19BrN2O
Molecular Weight455.36 g/mol
Exact Mass454.07
IUPAC Name2-(4-bromo-2-phenylmethoxyphenyl)-1-phenylbenzimidazole
SMILESBrc1ccc(-c2nc3ccccc3n2-c2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C26H19BrN2O/c27-20-15-16-22(25(17-20)30-18-19-9-3-1-4-10-19)26-28-23-13-7-8-14-24(23)29(26)21-11-5-2-6-12-21/h1-17H,18H2
InChIKeyVOHDNUBPSRDIJM-UHFFFAOYSA-N
XLogP7.03
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.36
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
2-(4-bromo-2-phenylmethoxyphenyl)-1,3-benzoxazole
CID 121392545
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
2-(2,4-dimethoxyphenyl)-1-phenylbenzimidazole
CID 86118323
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole
CID 129257071
[2-(1-phenylbenzimidazol-2-yl)phenyl] hypoiodite
CID 129164240
2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 141061579
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
2-(4-bromo-2-phenylmethoxyphenyl)-1H-imidazole
CID 146672083
2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole
CID 130287427
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
lithium 2-(1-phenylbenzimidazol-2-yl)phenolate
CID 118618865

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-phenylmethoxyphenyl)-1-phenylbenzimidazole?
The IUPAC name of 2-(4-bromo-2-phenylmethoxyphenyl)-1-phenylbenzimidazole (CID 121392547) is 2-(4-bromo-2-phenylmethoxyphenyl)-1-phenylbenzimidazole.
What is the SMILES notation for 2-(4-bromo-2-phenylmethoxyphenyl)-1-phenylbenzimidazole?
The canonical SMILES for 2-(4-bromo-2-phenylmethoxyphenyl)-1-phenylbenzimidazole is Brc1ccc(-c2nc3ccccc3n2-c2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of 2-(4-bromo-2-phenylmethoxyphenyl)-1-phenylbenzimidazole?
The InChIKey is VOHDNUBPSRDIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19BrN2O/c27-20-15-16-22(25(17-20)30-18-19-9-3-1-4-10-19)26-28-23-13-7-8-14-24(23)29(26)21-11-5-2-6-12-21/h1-17H,18H2.
What are the key properties of 2-(4-bromo-2-phenylmethoxyphenyl)-1-phenylbenzimidazole?
2-(4-bromo-2-phenylmethoxyphenyl)-1-phenylbenzimidazole has a molecular weight of 455.36 g/mol, XLogP of 7.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-phenylmethoxyphenyl)-1-phenylbenzimidazole is sourced from PubChem (CID 121392547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).