2-(2-bromoimidazol-1-yl)benzonitrile

C10H6BrN3 — CID 83382745

IUPAC2-(2-bromoimidazol-1-yl)benzonitrile
SMILESN#Cc1ccccc1-n1ccnc1Br
InChIInChI=1S/C10H6BrN3/c11-10-13-5-6-14(10)9-4-2-1-3-8(9)7-12/h1-6H
InChIKeyPFWHNJJGYLNVSI-UHFFFAOYSA-N
MW248.08 g/mol
LogP2.51
Rot. Bonds1

About 2-(2-bromoimidazol-1-yl)benzonitrile

2-(2-bromoimidazol-1-yl)benzonitrile (PubChem CID 83382745) has the molecular formula C10H6BrN3 and a molecular weight of 248.08 g/mol. Its IUPAC name is 2-(2-bromoimidazol-1-yl)benzonitrile.

Molecular Properties

Compound Name2-(2-bromoimidazol-1-yl)benzonitrile
PubChem CID83382745
Molecular FormulaC10H6BrN3
Molecular Weight248.08 g/mol
Exact Mass246.97
IUPAC Name2-(2-bromoimidazol-1-yl)benzonitrile
SMILESN#Cc1ccccc1-n1ccnc1Br
InChIInChI=1S/C10H6BrN3/c11-10-13-5-6-14(10)9-4-2-1-3-8(9)7-12/h1-6H
InChIKeyPFWHNJJGYLNVSI-UHFFFAOYSA-N
XLogP2.51
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoimidazol-1-yl)benzonitrile?
The IUPAC name of 2-(2-bromoimidazol-1-yl)benzonitrile (CID 83382745) is 2-(2-bromoimidazol-1-yl)benzonitrile.
What is the SMILES notation for 2-(2-bromoimidazol-1-yl)benzonitrile?
The canonical SMILES for 2-(2-bromoimidazol-1-yl)benzonitrile is N#Cc1ccccc1-n1ccnc1Br.
What is the InChIKey of 2-(2-bromoimidazol-1-yl)benzonitrile?
The InChIKey is PFWHNJJGYLNVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN3/c11-10-13-5-6-14(10)9-4-2-1-3-8(9)7-12/h1-6H.
What are the key properties of 2-(2-bromoimidazol-1-yl)benzonitrile?
2-(2-bromoimidazol-1-yl)benzonitrile has a molecular weight of 248.08 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoimidazol-1-yl)benzonitrile is sourced from PubChem (CID 83382745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).