(5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethyl)imidazol-4-one

C20H21N3O4 — CID 162669405

IUPAC(5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethyl)imidazol-4-one
SMILESO=C1/C(=C/c2ccoc2)N=C(CCN2CCOCC2)N1c1ccc(O)cc1
InChIInChI=1S/C20H21N3O4/c24-17-3-1-16(2-4-17)23-19(5-7-22-8-11-26-12-9-22)21-18(20(23)25)13-15-6-10-27-14-15/h1-4,6,10,13-14,24H,5,7-9,11-12H2/b18-13-
InChIKeyXQZBRFNLBOQTJD-AQTBWJFISA-N
MW367.41 g/mol
LogP2.49
Rot. Bonds5

About (5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethyl)imidazol-4-one

(5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethyl)imidazol-4-one (PubChem CID 162669405) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is (5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethyl)imidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethyl)imidazol-4-one
PubChem CID162669405
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name(5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethyl)imidazol-4-one
SMILESO=C1/C(=C/c2ccoc2)N=C(CCN2CCOCC2)N1c1ccc(O)cc1
InChIInChI=1S/C20H21N3O4/c24-17-3-1-16(2-4-17)23-19(5-7-22-8-11-26-12-9-22)21-18(20(23)25)13-15-6-10-27-14-15/h1-4,6,10,13-14,24H,5,7-9,11-12H2/b18-13-
InChIKeyXQZBRFNLBOQTJD-AQTBWJFISA-N
XLogP2.49
TPSA78.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-morpholin-4-ylethyl)imidazol-4-one?
The IUPAC name of (5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethyl)imidazol-4-one (CID 162669405) is (5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethyl)imidazol-4-one.
What is the SMILES notation for (5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethyl)imidazol-4-one?
The canonical SMILES for (5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethyl)imidazol-4-one is O=C1/C(=C/c2ccoc2)N=C(CCN2CCOCC2)N1c1ccc(O)cc1.
What is the InChIKey of (5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethyl)imidazol-4-one?
The InChIKey is XQZBRFNLBOQTJD-AQTBWJFISA-N. The full InChI is InChI=1S/C20H21N3O4/c24-17-3-1-16(2-4-17)23-19(5-7-22-8-11-26-12-9-22)21-18(20(23)25)13-15-6-10-27-14-15/h1-4,6,10,13-14,24H,5,7-9,11-12H2/b18-13-.
What are the key properties of (5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethyl)imidazol-4-one?
(5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethyl)imidazol-4-one has a molecular weight of 367.41 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(furan-3-ylmethylidene)-3-(4-hydroxyphenyl)-2-(2-morpholin-4-ylethyl)imidazol-4-one is sourced from PubChem (CID 162669405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).