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

C12H10N2O2 — CID 2526010

IUPAC3-hydroxy-2-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one
SMILESO=C(C(=CO)c1ncc[nH]1)c1ccccc1
InChIInChI=1S/C12H10N2O2/c15-8-10(12-13-6-7-14-12)11(16)9-4-2-1-3-5-9/h1-8,15H,(H,13,14)
InChIKeyMCRUOLGRSWKOAC-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.19
Rot. Bonds3

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

3-hydroxy-2-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one (PubChem CID 2526010) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-hydroxy-2-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one
PubChem CID2526010
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name3-hydroxy-2-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one
SMILESO=C(C(=CO)c1ncc[nH]1)c1ccccc1
InChIInChI=1S/C12H10N2O2/c15-8-10(12-13-6-7-14-12)11(16)9-4-2-1-3-5-9/h1-8,15H,(H,13,14)
InChIKeyMCRUOLGRSWKOAC-UHFFFAOYSA-N
XLogP2.19
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one?
The IUPAC name of 3-hydroxy-2-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one (CID 2526010) is 3-hydroxy-2-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for 3-hydroxy-2-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one?
The canonical SMILES for 3-hydroxy-2-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one is O=C(C(=CO)c1ncc[nH]1)c1ccccc1.
What is the InChIKey of 3-hydroxy-2-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one?
The InChIKey is MCRUOLGRSWKOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-8-10(12-13-6-7-14-12)11(16)9-4-2-1-3-5-9/h1-8,15H,(H,13,14).
What are the key properties of 3-hydroxy-2-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one?
3-hydroxy-2-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one has a molecular weight of 214.22 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 2526010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).