5-bromo-1-(2-phenylethenyl)imidazole

C11H9BrN2 — CID 174655520

IUPAC5-bromo-1-(2-phenylethenyl)imidazole
SMILESBrc1cncn1C=Cc1ccccc1
InChIInChI=1S/C11H9BrN2/c12-11-8-13-9-14(11)7-6-10-4-2-1-3-5-10/h1-9H
InChIKeyZBFULHYZWUBKFH-UHFFFAOYSA-N
MW249.11 g/mol
LogP3.27
Rot. Bonds2

About 5-bromo-1-(2-phenylethenyl)imidazole

5-bromo-1-(2-phenylethenyl)imidazole (PubChem CID 174655520) has the molecular formula C11H9BrN2 and a molecular weight of 249.11 g/mol. Its IUPAC name is 5-bromo-1-(2-phenylethenyl)imidazole.

Molecular Properties

Compound Name5-bromo-1-(2-phenylethenyl)imidazole
PubChem CID174655520
Molecular FormulaC11H9BrN2
Molecular Weight249.11 g/mol
Exact Mass247.99
IUPAC Name5-bromo-1-(2-phenylethenyl)imidazole
SMILESBrc1cncn1C=Cc1ccccc1
InChIInChI=1S/C11H9BrN2/c12-11-8-13-9-14(11)7-6-10-4-2-1-3-5-10/h1-9H
InChIKeyZBFULHYZWUBKFH-UHFFFAOYSA-N
XLogP3.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2-phenylethenyl]imidazole
CID 5374234
2-phenyl-1-(2-phenylethenyl)pyrrole
CID 141184632
5-methoxycarbonyl-3-[(E)-2-phenylethenyl]imidazole-4-carboxylic acid
CID 5373361
1-(2-phenylethenyl)pyrazole
CID 71346578
3,5-dibromo-1-[(E)-3-phenylprop-2-enyl]pyrazole
CID 114692400
CID 70567885
CID 70567885
CID 70569152
CID 70569152
1-[(E)-2-phenylethenyl]azepane
CID 146169339
4-(2-phenylethenyl)pyridine;hydrochloride
CID 71352999
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
hydride;rubidium(1+);stilbene
CID 173437843

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-phenylethenyl)imidazole?
The IUPAC name of 5-bromo-1-(2-phenylethenyl)imidazole (CID 174655520) is 5-bromo-1-(2-phenylethenyl)imidazole.
What is the SMILES notation for 5-bromo-1-(2-phenylethenyl)imidazole?
The canonical SMILES for 5-bromo-1-(2-phenylethenyl)imidazole is Brc1cncn1C=Cc1ccccc1.
What is the InChIKey of 5-bromo-1-(2-phenylethenyl)imidazole?
The InChIKey is ZBFULHYZWUBKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2/c12-11-8-13-9-14(11)7-6-10-4-2-1-3-5-10/h1-9H.
What are the key properties of 5-bromo-1-(2-phenylethenyl)imidazole?
5-bromo-1-(2-phenylethenyl)imidazole has a molecular weight of 249.11 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-phenylethenyl)imidazole is sourced from PubChem (CID 174655520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).