(4-ethenylphenyl)-imidazol-1-ylmethanone

C12H10N2O — CID 140908417

IUPAC(4-ethenylphenyl)-imidazol-1-ylmethanone
SMILESC=Cc1ccc(C(=O)n2ccnc2)cc1
InChIInChI=1S/C12H10N2O/c1-2-10-3-5-11(6-4-10)12(15)14-8-7-13-9-14/h2-9H,1H2
InChIKeyQVSXKYNPDTZBGB-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.21
Rot. Bonds2

About (4-ethenylphenyl)-imidazol-1-ylmethanone

(4-ethenylphenyl)-imidazol-1-ylmethanone (PubChem CID 140908417) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is (4-ethenylphenyl)-imidazol-1-ylmethanone.

Molecular Properties

Compound Name(4-ethenylphenyl)-imidazol-1-ylmethanone
PubChem CID140908417
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name(4-ethenylphenyl)-imidazol-1-ylmethanone
SMILESC=Cc1ccc(C(=O)n2ccnc2)cc1
InChIInChI=1S/C12H10N2O/c1-2-10-3-5-11(6-4-10)12(15)14-8-7-13-9-14/h2-9H,1H2
InChIKeyQVSXKYNPDTZBGB-UHFFFAOYSA-N
XLogP2.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenyl)-imidazol-1-ylmethanone?
The IUPAC name of (4-ethenylphenyl)-imidazol-1-ylmethanone (CID 140908417) is (4-ethenylphenyl)-imidazol-1-ylmethanone.
What is the SMILES notation for (4-ethenylphenyl)-imidazol-1-ylmethanone?
The canonical SMILES for (4-ethenylphenyl)-imidazol-1-ylmethanone is C=Cc1ccc(C(=O)n2ccnc2)cc1.
What is the InChIKey of (4-ethenylphenyl)-imidazol-1-ylmethanone?
The InChIKey is QVSXKYNPDTZBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-2-10-3-5-11(6-4-10)12(15)14-8-7-13-9-14/h2-9H,1H2.
What are the key properties of (4-ethenylphenyl)-imidazol-1-ylmethanone?
(4-ethenylphenyl)-imidazol-1-ylmethanone has a molecular weight of 198.22 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl)-imidazol-1-ylmethanone is sourced from PubChem (CID 140908417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).