2-(2-chlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one

C15H11ClN2O2 — CID 4896394

IUPAC2-(2-chlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one
SMILESCN1C(=O)C(=Cc2ccco2)N=C1c1ccccc1Cl
InChIInChI=1S/C15H11ClN2O2/c1-18-14(11-6-2-3-7-12(11)16)17-13(15(18)19)9-10-5-4-8-20-10/h2-9H,1H3
InChIKeyCUUMCBMMKJGHCV-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.19
Rot. Bonds2

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

2-(2-chlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one (PubChem CID 4896394) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one
PubChem CID4896394
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name2-(2-chlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one
SMILESCN1C(=O)C(=Cc2ccco2)N=C1c1ccccc1Cl
InChIInChI=1S/C15H11ClN2O2/c1-18-14(11-6-2-3-7-12(11)16)17-13(15(18)19)9-10-5-4-8-20-10/h2-9H,1H3
InChIKeyCUUMCBMMKJGHCV-UHFFFAOYSA-N
XLogP3.19
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.19
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 2-(2-chlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one?
The IUPAC name of 2-(2-chlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one (CID 4896394) is 2-(2-chlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one is CN1C(=O)C(=Cc2ccco2)N=C1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one?
The InChIKey is CUUMCBMMKJGHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-18-14(11-6-2-3-7-12(11)16)17-13(15(18)19)9-10-5-4-8-20-10/h2-9H,1H3.
What are the key properties of 2-(2-chlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one?
2-(2-chlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one has a molecular weight of 286.72 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-(furan-2-ylmethylidene)-3-methylimidazol-4-one is sourced from PubChem (CID 4896394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).