(5Z)-3-(2-hydroxyethyl)-5-[(2-methoxyphenyl)methylidene]-2-methylimidazol-4-one

C14H16N2O3 — CID 134835316

IUPAC(5Z)-3-(2-hydroxyethyl)-5-[(2-methoxyphenyl)methylidene]-2-methylimidazol-4-one
SMILESCOc1ccccc1/C=C1\N=C(C)N(CCO)C1=O
InChIInChI=1S/C14H16N2O3/c1-10-15-12(14(18)16(10)7-8-17)9-11-5-3-4-6-13(11)19-2/h3-6,9,17H,7-8H2,1-2H3/b12-9-
InChIKeyHLOWRWFOFOOLSK-XFXZXTDPSA-N
MW260.29 g/mol
LogP1.29
Rot. Bonds4

About (5Z)-3-(2-hydroxyethyl)-5-[(2-methoxyphenyl)methylidene]-2-methylimidazol-4-one

(5Z)-3-(2-hydroxyethyl)-5-[(2-methoxyphenyl)methylidene]-2-methylimidazol-4-one (PubChem CID 134835316) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (5Z)-3-(2-hydroxyethyl)-5-[(2-methoxyphenyl)methylidene]-2-methylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-3-(2-hydroxyethyl)-5-[(2-methoxyphenyl)methylidene]-2-methylimidazol-4-one
PubChem CID134835316
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(5Z)-3-(2-hydroxyethyl)-5-[(2-methoxyphenyl)methylidene]-2-methylimidazol-4-one
SMILESCOc1ccccc1/C=C1\N=C(C)N(CCO)C1=O
InChIInChI=1S/C14H16N2O3/c1-10-15-12(14(18)16(10)7-8-17)9-11-5-3-4-6-13(11)19-2/h3-6,9,17H,7-8H2,1-2H3/b12-9-
InChIKeyHLOWRWFOFOOLSK-XFXZXTDPSA-N
XLogP1.29
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (5Z)-3-(2-hydroxyethyl)-5-[(2-methoxyphenyl)methylidene]-2-methylimidazol-4-one?
The IUPAC name of (5Z)-3-(2-hydroxyethyl)-5-[(2-methoxyphenyl)methylidene]-2-methylimidazol-4-one (CID 134835316) is (5Z)-3-(2-hydroxyethyl)-5-[(2-methoxyphenyl)methylidene]-2-methylimidazol-4-one.
What is the SMILES notation for (5Z)-3-(2-hydroxyethyl)-5-[(2-methoxyphenyl)methylidene]-2-methylimidazol-4-one?
The canonical SMILES for (5Z)-3-(2-hydroxyethyl)-5-[(2-methoxyphenyl)methylidene]-2-methylimidazol-4-one is COc1ccccc1/C=C1\N=C(C)N(CCO)C1=O.
What is the InChIKey of (5Z)-3-(2-hydroxyethyl)-5-[(2-methoxyphenyl)methylidene]-2-methylimidazol-4-one?
The InChIKey is HLOWRWFOFOOLSK-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-15-12(14(18)16(10)7-8-17)9-11-5-3-4-6-13(11)19-2/h3-6,9,17H,7-8H2,1-2H3/b12-9-.
What are the key properties of (5Z)-3-(2-hydroxyethyl)-5-[(2-methoxyphenyl)methylidene]-2-methylimidazol-4-one?
(5Z)-3-(2-hydroxyethyl)-5-[(2-methoxyphenyl)methylidene]-2-methylimidazol-4-one has a molecular weight of 260.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2-hydroxyethyl)-5-[(2-methoxyphenyl)methylidene]-2-methylimidazol-4-one is sourced from PubChem (CID 134835316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).