2-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]acetamide

C16H13N3O3 — CID 2816817

IUPAC2-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]acetamide
SMILESNC(=O)CN1C(=O)C(=Cc2ccco2)N=C1c1ccccc1
InChIInChI=1S/C16H13N3O3/c17-14(20)10-19-15(11-5-2-1-3-6-11)18-13(16(19)21)9-12-7-4-8-22-12/h1-9H,10H2,(H2,17,20)
InChIKeyYQBWXRWACPTWAA-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.39
Rot. Bonds4

About 2-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]acetamide

2-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]acetamide (PubChem CID 2816817) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]acetamide
PubChem CID2816817
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name2-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]acetamide
SMILESNC(=O)CN1C(=O)C(=Cc2ccco2)N=C1c1ccccc1
InChIInChI=1S/C16H13N3O3/c17-14(20)10-19-15(11-5-2-1-3-6-11)18-13(16(19)21)9-12-7-4-8-22-12/h1-9H,10H2,(H2,17,20)
InChIKeyYQBWXRWACPTWAA-UHFFFAOYSA-N
XLogP1.39
TPSA88.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.39
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 2-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]acetamide?
The IUPAC name of 2-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]acetamide (CID 2816817) is 2-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]acetamide?
The canonical SMILES for 2-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]acetamide is NC(=O)CN1C(=O)C(=Cc2ccco2)N=C1c1ccccc1.
What is the InChIKey of 2-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]acetamide?
The InChIKey is YQBWXRWACPTWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c17-14(20)10-19-15(11-5-2-1-3-6-11)18-13(16(19)21)9-12-7-4-8-22-12/h1-9H,10H2,(H2,17,20).
What are the key properties of 2-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]acetamide?
2-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]acetamide has a molecular weight of 295.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]acetamide is sourced from PubChem (CID 2816817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).