2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole

C25H17BrN2 — CID 58281901

IUPAC2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole
SMILESBrc1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H17BrN2/c26-21-16-14-19(15-17-21)18-10-12-20(13-11-18)25-27-23-8-4-5-9-24(23)28(25)22-6-2-1-3-7-22/h1-17H
InChIKeyJJZLAXQRWKBSQZ-UHFFFAOYSA-N
MW425.33 g/mol
LogP7.12
Rot. Bonds3

About 2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole

2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole (PubChem CID 58281901) has the molecular formula C25H17BrN2 and a molecular weight of 425.33 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole
PubChem CID58281901
Molecular FormulaC25H17BrN2
Molecular Weight425.33 g/mol
Exact Mass424.06
IUPAC Name2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole
SMILESBrc1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H17BrN2/c26-21-16-14-19(15-17-21)18-10-12-20(13-11-18)25-27-23-8-4-5-9-24(23)28(25)22-6-2-1-3-7-22/h1-17H
InChIKeyJJZLAXQRWKBSQZ-UHFFFAOYSA-N
XLogP7.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.33
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole (CID 58281901) is 2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole is Brc1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole?
The InChIKey is JJZLAXQRWKBSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrN2/c26-21-16-14-19(15-17-21)18-10-12-20(13-11-18)25-27-23-8-4-5-9-24(23)28(25)22-6-2-1-3-7-22/h1-17H.
What are the key properties of 2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole?
2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole has a molecular weight of 425.33 g/mol, XLogP of 7.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 58281901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).