(4Z)-4-(furan-2-ylmethylidene)-2-phenyl-1H-imidazol-5-one

C14H10N2O2 — CID 135517591

IUPAC(4Z)-4-(furan-2-ylmethylidene)-2-phenyl-1H-imidazol-5-one
SMILESO=C1NC(c2ccccc2)=N/C1=C\c1ccco1
InChIInChI=1S/C14H10N2O2/c17-14-12(9-11-7-4-8-18-11)15-13(16-14)10-5-2-1-3-6-10/h1-9H,(H,15,16,17)/b12-9-
InChIKeyUKRXBEYPBBEKBK-XFXZXTDPSA-N
MW238.25 g/mol
LogP2.20
Rot. Bonds2

About (4Z)-4-(furan-2-ylmethylidene)-2-phenyl-1H-imidazol-5-one

(4Z)-4-(furan-2-ylmethylidene)-2-phenyl-1H-imidazol-5-one (PubChem CID 135517591) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is (4Z)-4-(furan-2-ylmethylidene)-2-phenyl-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-(furan-2-ylmethylidene)-2-phenyl-1H-imidazol-5-one
PubChem CID135517591
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name(4Z)-4-(furan-2-ylmethylidene)-2-phenyl-1H-imidazol-5-one
SMILESO=C1NC(c2ccccc2)=N/C1=C\c1ccco1
InChIInChI=1S/C14H10N2O2/c17-14-12(9-11-7-4-8-18-11)15-13(16-14)10-5-2-1-3-6-10/h1-9H,(H,15,16,17)/b12-9-
InChIKeyUKRXBEYPBBEKBK-XFXZXTDPSA-N
XLogP2.20
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
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 (4Z)-4-(furan-2-ylmethylidene)-2-phenyl-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-(furan-2-ylmethylidene)-2-phenyl-1H-imidazol-5-one (CID 135517591) is (4Z)-4-(furan-2-ylmethylidene)-2-phenyl-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-(furan-2-ylmethylidene)-2-phenyl-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-(furan-2-ylmethylidene)-2-phenyl-1H-imidazol-5-one is O=C1NC(c2ccccc2)=N/C1=C\c1ccco1.
What is the InChIKey of (4Z)-4-(furan-2-ylmethylidene)-2-phenyl-1H-imidazol-5-one?
The InChIKey is UKRXBEYPBBEKBK-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-14-12(9-11-7-4-8-18-11)15-13(16-14)10-5-2-1-3-6-10/h1-9H,(H,15,16,17)/b12-9-.
What are the key properties of (4Z)-4-(furan-2-ylmethylidene)-2-phenyl-1H-imidazol-5-one?
(4Z)-4-(furan-2-ylmethylidene)-2-phenyl-1H-imidazol-5-one has a molecular weight of 238.25 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(furan-2-ylmethylidene)-2-phenyl-1H-imidazol-5-one is sourced from PubChem (CID 135517591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).