4-(1-imidazol-1-ylethenyl)benzonitrile

C12H9N3 — CID 11819989

IUPAC4-(1-imidazol-1-ylethenyl)benzonitrile
SMILESC=C(c1ccc(C#N)cc1)n1ccnc1
InChIInChI=1S/C12H9N3/c1-10(15-7-6-14-9-15)12-4-2-11(8-13)3-5-12/h2-7,9H,1H2
InChIKeyFUFISTOVGRWOOB-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.27
Rot. Bonds2

About 4-(1-imidazol-1-ylethenyl)benzonitrile

4-(1-imidazol-1-ylethenyl)benzonitrile (PubChem CID 11819989) has the molecular formula C12H9N3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(1-imidazol-1-ylethenyl)benzonitrile.

Molecular Properties

Compound Name4-(1-imidazol-1-ylethenyl)benzonitrile
PubChem CID11819989
Molecular FormulaC12H9N3
Molecular Weight195.22 g/mol
Exact Mass195.08
IUPAC Name4-(1-imidazol-1-ylethenyl)benzonitrile
SMILESC=C(c1ccc(C#N)cc1)n1ccnc1
InChIInChI=1S/C12H9N3/c1-10(15-7-6-14-9-15)12-4-2-11(8-13)3-5-12/h2-7,9H,1H2
InChIKeyFUFISTOVGRWOOB-UHFFFAOYSA-N
XLogP2.27
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-imidazol-1-ylethenyl)benzonitrile?
The IUPAC name of 4-(1-imidazol-1-ylethenyl)benzonitrile (CID 11819989) is 4-(1-imidazol-1-ylethenyl)benzonitrile.
What is the SMILES notation for 4-(1-imidazol-1-ylethenyl)benzonitrile?
The canonical SMILES for 4-(1-imidazol-1-ylethenyl)benzonitrile is C=C(c1ccc(C#N)cc1)n1ccnc1.
What is the InChIKey of 4-(1-imidazol-1-ylethenyl)benzonitrile?
The InChIKey is FUFISTOVGRWOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c1-10(15-7-6-14-9-15)12-4-2-11(8-13)3-5-12/h2-7,9H,1H2.
What are the key properties of 4-(1-imidazol-1-ylethenyl)benzonitrile?
4-(1-imidazol-1-ylethenyl)benzonitrile has a molecular weight of 195.22 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-imidazol-1-ylethenyl)benzonitrile is sourced from PubChem (CID 11819989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).