(E)-3-[5-(4-fluorophenyl)-3-methyl-2-oxo-1-phenylimidazol-4-yl]prop-2-enal

C19H15FN2O2 — CID 14459257

IUPAC(E)-3-[5-(4-fluorophenyl)-3-methyl-2-oxo-1-phenylimidazol-4-yl]prop-2-enal
SMILESCn1c(/C=C/C=O)c(-c2ccc(F)cc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C19H15FN2O2/c1-21-17(8-5-13-23)18(14-9-11-15(20)12-10-14)22(19(21)24)16-6-3-2-4-7-16/h2-13H,1H3/b8-5+
InChIKeyMJVDOGRIBUPWCY-VMPITWQZSA-N
MW322.34 g/mol
LogP3.19
Rot. Bonds4

About (E)-3-[5-(4-fluorophenyl)-3-methyl-2-oxo-1-phenylimidazol-4-yl]prop-2-enal

(E)-3-[5-(4-fluorophenyl)-3-methyl-2-oxo-1-phenylimidazol-4-yl]prop-2-enal (PubChem CID 14459257) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is (E)-3-[5-(4-fluorophenyl)-3-methyl-2-oxo-1-phenylimidazol-4-yl]prop-2-enal.

Molecular Properties

Compound Name(E)-3-[5-(4-fluorophenyl)-3-methyl-2-oxo-1-phenylimidazol-4-yl]prop-2-enal
PubChem CID14459257
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name(E)-3-[5-(4-fluorophenyl)-3-methyl-2-oxo-1-phenylimidazol-4-yl]prop-2-enal
SMILESCn1c(/C=C/C=O)c(-c2ccc(F)cc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C19H15FN2O2/c1-21-17(8-5-13-23)18(14-9-11-15(20)12-10-14)22(19(21)24)16-6-3-2-4-7-16/h2-13H,1H3/b8-5+
InChIKeyMJVDOGRIBUPWCY-VMPITWQZSA-N
XLogP3.19
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(4-fluorophenyl)-3-methyl-2-oxo-1-phenylimidazol-4-yl]prop-2-enal?
The IUPAC name of (E)-3-[5-(4-fluorophenyl)-3-methyl-2-oxo-1-phenylimidazol-4-yl]prop-2-enal (CID 14459257) is (E)-3-[5-(4-fluorophenyl)-3-methyl-2-oxo-1-phenylimidazol-4-yl]prop-2-enal.
What is the SMILES notation for (E)-3-[5-(4-fluorophenyl)-3-methyl-2-oxo-1-phenylimidazol-4-yl]prop-2-enal?
The canonical SMILES for (E)-3-[5-(4-fluorophenyl)-3-methyl-2-oxo-1-phenylimidazol-4-yl]prop-2-enal is Cn1c(/C=C/C=O)c(-c2ccc(F)cc2)n(-c2ccccc2)c1=O.
What is the InChIKey of (E)-3-[5-(4-fluorophenyl)-3-methyl-2-oxo-1-phenylimidazol-4-yl]prop-2-enal?
The InChIKey is MJVDOGRIBUPWCY-VMPITWQZSA-N. The full InChI is InChI=1S/C19H15FN2O2/c1-21-17(8-5-13-23)18(14-9-11-15(20)12-10-14)22(19(21)24)16-6-3-2-4-7-16/h2-13H,1H3/b8-5+.
What are the key properties of (E)-3-[5-(4-fluorophenyl)-3-methyl-2-oxo-1-phenylimidazol-4-yl]prop-2-enal?
(E)-3-[5-(4-fluorophenyl)-3-methyl-2-oxo-1-phenylimidazol-4-yl]prop-2-enal has a molecular weight of 322.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(4-fluorophenyl)-3-methyl-2-oxo-1-phenylimidazol-4-yl]prop-2-enal is sourced from PubChem (CID 14459257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).