3-cyclopropyl-5-[(2,4-dichlorophenyl)methylidene]-2-phenylimidazol-4-one

C19H14Cl2N2O — CID 1275983

IUPAC3-cyclopropyl-5-[(2,4-dichlorophenyl)methylidene]-2-phenylimidazol-4-one
SMILESO=C1C(=Cc2ccc(Cl)cc2Cl)N=C(c2ccccc2)N1C1CC1
InChIInChI=1S/C19H14Cl2N2O/c20-14-7-6-13(16(21)11-14)10-17-19(24)23(15-8-9-15)18(22-17)12-4-2-1-3-5-12/h1-7,10-11,15H,8-9H2
InChIKeyGNALTKZFPARLGL-UHFFFAOYSA-N
MW357.24 g/mol
LogP4.79
Rot. Bonds3

About 3-cyclopropyl-5-[(2,4-dichlorophenyl)methylidene]-2-phenylimidazol-4-one

3-cyclopropyl-5-[(2,4-dichlorophenyl)methylidene]-2-phenylimidazol-4-one (PubChem CID 1275983) has the molecular formula C19H14Cl2N2O and a molecular weight of 357.24 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(2,4-dichlorophenyl)methylidene]-2-phenylimidazol-4-one.

Molecular Properties

Compound Name3-cyclopropyl-5-[(2,4-dichlorophenyl)methylidene]-2-phenylimidazol-4-one
PubChem CID1275983
Molecular FormulaC19H14Cl2N2O
Molecular Weight357.24 g/mol
Exact Mass356.05
IUPAC Name3-cyclopropyl-5-[(2,4-dichlorophenyl)methylidene]-2-phenylimidazol-4-one
SMILESO=C1C(=Cc2ccc(Cl)cc2Cl)N=C(c2ccccc2)N1C1CC1
InChIInChI=1S/C19H14Cl2N2O/c20-14-7-6-13(16(21)11-14)10-17-19(24)23(15-8-9-15)18(22-17)12-4-2-1-3-5-12/h1-7,10-11,15H,8-9H2
InChIKeyGNALTKZFPARLGL-UHFFFAOYSA-N
XLogP4.79
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-cyclopropyl-5-[(2,4-dichlorophenyl)methylidene]-2-phenylimidazol-4-one?
The IUPAC name of 3-cyclopropyl-5-[(2,4-dichlorophenyl)methylidene]-2-phenylimidazol-4-one (CID 1275983) is 3-cyclopropyl-5-[(2,4-dichlorophenyl)methylidene]-2-phenylimidazol-4-one.
What is the SMILES notation for 3-cyclopropyl-5-[(2,4-dichlorophenyl)methylidene]-2-phenylimidazol-4-one?
The canonical SMILES for 3-cyclopropyl-5-[(2,4-dichlorophenyl)methylidene]-2-phenylimidazol-4-one is O=C1C(=Cc2ccc(Cl)cc2Cl)N=C(c2ccccc2)N1C1CC1.
What is the InChIKey of 3-cyclopropyl-5-[(2,4-dichlorophenyl)methylidene]-2-phenylimidazol-4-one?
The InChIKey is GNALTKZFPARLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O/c20-14-7-6-13(16(21)11-14)10-17-19(24)23(15-8-9-15)18(22-17)12-4-2-1-3-5-12/h1-7,10-11,15H,8-9H2.
What are the key properties of 3-cyclopropyl-5-[(2,4-dichlorophenyl)methylidene]-2-phenylimidazol-4-one?
3-cyclopropyl-5-[(2,4-dichlorophenyl)methylidene]-2-phenylimidazol-4-one has a molecular weight of 357.24 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(2,4-dichlorophenyl)methylidene]-2-phenylimidazol-4-one is sourced from PubChem (CID 1275983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).