(5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-methylimidazol-4-one

C15H12N2O3 — CID 162652500

IUPAC(5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-methylimidazol-4-one
SMILESCC1=N/C(=C\c2ccoc2)C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C15H12N2O3/c1-10-16-14(8-11-6-7-20-9-11)15(19)17(10)12-2-4-13(18)5-3-12/h2-9,18H,1H3/b14-8-
InChIKeyVNRZBUGARFWJET-ZSOIEALJSA-N
MW268.27 g/mol
LogP2.79
Rot. Bonds2

About (5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-methylimidazol-4-one

(5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-methylimidazol-4-one (PubChem CID 162652500) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is (5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-methylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-methylimidazol-4-one
PubChem CID162652500
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name(5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-methylimidazol-4-one
SMILESCC1=N/C(=C\c2ccoc2)C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C15H12N2O3/c1-10-16-14(8-11-6-7-20-9-11)15(19)17(10)12-2-4-13(18)5-3-12/h2-9,18H,1H3/b14-8-
InChIKeyVNRZBUGARFWJET-ZSOIEALJSA-N
XLogP2.79
TPSA66.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.79
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)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-methylimidazol-4-one?
The IUPAC name of (5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-methylimidazol-4-one (CID 162652500) is (5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-methylimidazol-4-one.
What is the SMILES notation for (5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-methylimidazol-4-one?
The canonical SMILES for (5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-methylimidazol-4-one is CC1=N/C(=C\c2ccoc2)C(=O)N1c1ccc(O)cc1.
What is the InChIKey of (5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-methylimidazol-4-one?
The InChIKey is VNRZBUGARFWJET-ZSOIEALJSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-10-16-14(8-11-6-7-20-9-11)15(19)17(10)12-2-4-13(18)5-3-12/h2-9,18H,1H3/b14-8-.
What are the key properties of (5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-methylimidazol-4-one?
(5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-methylimidazol-4-one has a molecular weight of 268.27 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-methylimidazol-4-one is sourced from PubChem (CID 162652500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).