5-bromo-1-phenyl-2-(2-phenylethenyl)benzimidazole

C21H15BrN2 — CID 54183836

IUPAC5-bromo-1-phenyl-2-(2-phenylethenyl)benzimidazole
SMILESBrc1ccc2c(c1)nc(C=Cc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C21H15BrN2/c22-17-12-13-20-19(15-17)23-21(14-11-16-7-3-1-4-8-16)24(20)18-9-5-2-6-10-18/h1-15H
InChIKeyPDSYQZMEAAYVRR-UHFFFAOYSA-N
MW375.27 g/mol
LogP5.96
Rot. Bonds3

About 5-bromo-1-phenyl-2-(2-phenylethenyl)benzimidazole

5-bromo-1-phenyl-2-(2-phenylethenyl)benzimidazole (PubChem CID 54183836) has the molecular formula C21H15BrN2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 5-bromo-1-phenyl-2-(2-phenylethenyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-1-phenyl-2-(2-phenylethenyl)benzimidazole
PubChem CID54183836
Molecular FormulaC21H15BrN2
Molecular Weight375.27 g/mol
Exact Mass374.04
IUPAC Name5-bromo-1-phenyl-2-(2-phenylethenyl)benzimidazole
SMILESBrc1ccc2c(c1)nc(C=Cc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C21H15BrN2/c22-17-12-13-20-19(15-17)23-21(14-11-16-7-3-1-4-8-16)24(20)18-9-5-2-6-10-18/h1-15H
InChIKeyPDSYQZMEAAYVRR-UHFFFAOYSA-N
XLogP5.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.27
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-phenyl-2-(2-phenylethenyl)benzimidazole?
The IUPAC name of 5-bromo-1-phenyl-2-(2-phenylethenyl)benzimidazole (CID 54183836) is 5-bromo-1-phenyl-2-(2-phenylethenyl)benzimidazole.
What is the SMILES notation for 5-bromo-1-phenyl-2-(2-phenylethenyl)benzimidazole?
The canonical SMILES for 5-bromo-1-phenyl-2-(2-phenylethenyl)benzimidazole is Brc1ccc2c(c1)nc(C=Cc1ccccc1)n2-c1ccccc1.
What is the InChIKey of 5-bromo-1-phenyl-2-(2-phenylethenyl)benzimidazole?
The InChIKey is PDSYQZMEAAYVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN2/c22-17-12-13-20-19(15-17)23-21(14-11-16-7-3-1-4-8-16)24(20)18-9-5-2-6-10-18/h1-15H.
What are the key properties of 5-bromo-1-phenyl-2-(2-phenylethenyl)benzimidazole?
5-bromo-1-phenyl-2-(2-phenylethenyl)benzimidazole has a molecular weight of 375.27 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-phenyl-2-(2-phenylethenyl)benzimidazole is sourced from PubChem (CID 54183836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).