4-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-imidazol-5-yl]benzonitrile

C18H12BrN3 — CID 67049189

IUPAC4-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-imidazol-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc(/C=C/c3ccc(Br)cc3)[nH]2)cc1
InChIInChI=1S/C18H12BrN3/c19-16-8-3-13(4-9-16)5-10-18-21-12-17(22-18)15-6-1-14(11-20)2-7-15/h1-10,12H,(H,21,22)/b10-5+
InChIKeyZOQFHEFRZSCDPN-BJMVGYQFSA-N
MW350.22 g/mol
LogP4.88
Rot. Bonds3

About 4-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-imidazol-5-yl]benzonitrile

4-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-imidazol-5-yl]benzonitrile (PubChem CID 67049189) has the molecular formula C18H12BrN3 and a molecular weight of 350.22 g/mol. Its IUPAC name is 4-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-imidazol-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-imidazol-5-yl]benzonitrile
PubChem CID67049189
Molecular FormulaC18H12BrN3
Molecular Weight350.22 g/mol
Exact Mass349.02
IUPAC Name4-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-imidazol-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc(/C=C/c3ccc(Br)cc3)[nH]2)cc1
InChIInChI=1S/C18H12BrN3/c19-16-8-3-13(4-9-16)5-10-18-21-12-17(22-18)15-6-1-14(11-20)2-7-15/h1-10,12H,(H,21,22)/b10-5+
InChIKeyZOQFHEFRZSCDPN-BJMVGYQFSA-N
XLogP4.88
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-imidazol-5-yl]benzonitrile?
The IUPAC name of 4-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-imidazol-5-yl]benzonitrile (CID 67049189) is 4-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-imidazol-5-yl]benzonitrile.
What is the SMILES notation for 4-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-imidazol-5-yl]benzonitrile?
The canonical SMILES for 4-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-imidazol-5-yl]benzonitrile is N#Cc1ccc(-c2cnc(/C=C/c3ccc(Br)cc3)[nH]2)cc1.
What is the InChIKey of 4-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-imidazol-5-yl]benzonitrile?
The InChIKey is ZOQFHEFRZSCDPN-BJMVGYQFSA-N. The full InChI is InChI=1S/C18H12BrN3/c19-16-8-3-13(4-9-16)5-10-18-21-12-17(22-18)15-6-1-14(11-20)2-7-15/h1-10,12H,(H,21,22)/b10-5+.
What are the key properties of 4-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-imidazol-5-yl]benzonitrile?
4-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-imidazol-5-yl]benzonitrile has a molecular weight of 350.22 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-imidazol-5-yl]benzonitrile is sourced from PubChem (CID 67049189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).