(E)-3-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one

C12H10N2O — CID 18782929

IUPAC(E)-3-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ncc[nH]1)c1ccccc1
InChIInChI=1S/C12H10N2O/c15-11(10-4-2-1-3-5-10)6-7-12-13-8-9-14-12/h1-9H,(H,13,14)/b7-6+
InChIKeyQXOCESWYEPTDKD-VOTSOKGWSA-N
MW198.22 g/mol
LogP2.31
Rot. Bonds3

About (E)-3-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one

(E)-3-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one (PubChem CID 18782929) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is (E)-3-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one
PubChem CID18782929
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name(E)-3-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ncc[nH]1)c1ccccc1
InChIInChI=1S/C12H10N2O/c15-11(10-4-2-1-3-5-10)6-7-12-13-8-9-14-12/h1-9H,(H,13,14)/b7-6+
InChIKeyQXOCESWYEPTDKD-VOTSOKGWSA-N
XLogP2.31
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one (CID 18782929) is (E)-3-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one is O=C(/C=C/c1ncc[nH]1)c1ccccc1.
What is the InChIKey of (E)-3-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one?
The InChIKey is QXOCESWYEPTDKD-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H10N2O/c15-11(10-4-2-1-3-5-10)6-7-12-13-8-9-14-12/h1-9H,(H,13,14)/b7-6+.
What are the key properties of (E)-3-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one?
(E)-3-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one has a molecular weight of 198.22 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 18782929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).