(5E)-5-benzylidene-3-(furan-2-ylmethyl)-2-methylimidazol-4-one

C16H14N2O2 — CID 177412479

IUPAC(5E)-5-benzylidene-3-(furan-2-ylmethyl)-2-methylimidazol-4-one
SMILESCC1=N/C(=C/c2ccccc2)C(=O)N1Cc1ccco1
InChIInChI=1S/C16H14N2O2/c1-12-17-15(10-13-6-3-2-4-7-13)16(19)18(12)11-14-8-5-9-20-14/h2-10H,11H2,1H3/b15-10+
InChIKeyPSPSJSZQFWEUSD-XNTDXEJSSA-N
MW266.30 g/mol
LogP3.08
Rot. Bonds3

About (5E)-5-benzylidene-3-(furan-2-ylmethyl)-2-methylimidazol-4-one

(5E)-5-benzylidene-3-(furan-2-ylmethyl)-2-methylimidazol-4-one (PubChem CID 177412479) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is (5E)-5-benzylidene-3-(furan-2-ylmethyl)-2-methylimidazol-4-one.

Molecular Properties

Compound Name(5E)-5-benzylidene-3-(furan-2-ylmethyl)-2-methylimidazol-4-one
PubChem CID177412479
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name(5E)-5-benzylidene-3-(furan-2-ylmethyl)-2-methylimidazol-4-one
SMILESCC1=N/C(=C/c2ccccc2)C(=O)N1Cc1ccco1
InChIInChI=1S/C16H14N2O2/c1-12-17-15(10-13-6-3-2-4-7-13)16(19)18(12)11-14-8-5-9-20-14/h2-10H,11H2,1H3/b15-10+
InChIKeyPSPSJSZQFWEUSD-XNTDXEJSSA-N
XLogP3.08
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-benzylidene-3-(furan-2-ylmethyl)-2-methylimidazol-4-one?
The IUPAC name of (5E)-5-benzylidene-3-(furan-2-ylmethyl)-2-methylimidazol-4-one (CID 177412479) is (5E)-5-benzylidene-3-(furan-2-ylmethyl)-2-methylimidazol-4-one.
What is the SMILES notation for (5E)-5-benzylidene-3-(furan-2-ylmethyl)-2-methylimidazol-4-one?
The canonical SMILES for (5E)-5-benzylidene-3-(furan-2-ylmethyl)-2-methylimidazol-4-one is CC1=N/C(=C/c2ccccc2)C(=O)N1Cc1ccco1.
What is the InChIKey of (5E)-5-benzylidene-3-(furan-2-ylmethyl)-2-methylimidazol-4-one?
The InChIKey is PSPSJSZQFWEUSD-XNTDXEJSSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-12-17-15(10-13-6-3-2-4-7-13)16(19)18(12)11-14-8-5-9-20-14/h2-10H,11H2,1H3/b15-10+.
What are the key properties of (5E)-5-benzylidene-3-(furan-2-ylmethyl)-2-methylimidazol-4-one?
(5E)-5-benzylidene-3-(furan-2-ylmethyl)-2-methylimidazol-4-one has a molecular weight of 266.30 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-3-(furan-2-ylmethyl)-2-methylimidazol-4-one is sourced from PubChem (CID 177412479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).