(5E)-5-(furan-2-ylmethylidene)-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one

C20H15N3O2 — CID 70689733

IUPAC(5E)-5-(furan-2-ylmethylidene)-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one
SMILESO=C1/C(=C\c2ccco2)N=C(c2ccccc2)N1Cc1ccncc1
InChIInChI=1S/C20H15N3O2/c24-20-18(13-17-7-4-12-25-17)22-19(16-5-2-1-3-6-16)23(20)14-15-8-10-21-11-9-15/h1-13H,14H2/b18-13+
InChIKeyBXUFCCRACXKSNP-QGOAFFKASA-N
MW329.36 g/mol
LogP3.50
Rot. Bonds4

About (5E)-5-(furan-2-ylmethylidene)-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one

(5E)-5-(furan-2-ylmethylidene)-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one (PubChem CID 70689733) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is (5E)-5-(furan-2-ylmethylidene)-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one.

Molecular Properties

Compound Name(5E)-5-(furan-2-ylmethylidene)-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one
PubChem CID70689733
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name(5E)-5-(furan-2-ylmethylidene)-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one
SMILESO=C1/C(=C\c2ccco2)N=C(c2ccccc2)N1Cc1ccncc1
InChIInChI=1S/C20H15N3O2/c24-20-18(13-17-7-4-12-25-17)22-19(16-5-2-1-3-6-16)23(20)14-15-8-10-21-11-9-15/h1-13H,14H2/b18-13+
InChIKeyBXUFCCRACXKSNP-QGOAFFKASA-N
XLogP3.50
TPSA58.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
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 (5E)-5-(furan-2-ylmethylidene)-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one?
The IUPAC name of (5E)-5-(furan-2-ylmethylidene)-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one (CID 70689733) is (5E)-5-(furan-2-ylmethylidene)-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one.
What is the SMILES notation for (5E)-5-(furan-2-ylmethylidene)-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one?
The canonical SMILES for (5E)-5-(furan-2-ylmethylidene)-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one is O=C1/C(=C\c2ccco2)N=C(c2ccccc2)N1Cc1ccncc1.
What is the InChIKey of (5E)-5-(furan-2-ylmethylidene)-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one?
The InChIKey is BXUFCCRACXKSNP-QGOAFFKASA-N. The full InChI is InChI=1S/C20H15N3O2/c24-20-18(13-17-7-4-12-25-17)22-19(16-5-2-1-3-6-16)23(20)14-15-8-10-21-11-9-15/h1-13H,14H2/b18-13+.
What are the key properties of (5E)-5-(furan-2-ylmethylidene)-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one?
(5E)-5-(furan-2-ylmethylidene)-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one has a molecular weight of 329.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(furan-2-ylmethylidene)-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one is sourced from PubChem (CID 70689733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).