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

C19H13N3O — CID 171406127

IUPAC2-phenyl-4-(quinolin-2-ylmethylidene)-1H-imidazol-5-one
SMILESO=C1NC(c2ccccc2)=NC1=Cc1ccc2ccccc2n1
InChIInChI=1S/C19H13N3O/c23-19-17(21-18(22-19)14-7-2-1-3-8-14)12-15-11-10-13-6-4-5-9-16(13)20-15/h1-12H,(H,21,22,23)
InChIKeyBPDISWAGUYWYMF-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.15
Rot. Bonds2

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

2-phenyl-4-(quinolin-2-ylmethylidene)-1H-imidazol-5-one (PubChem CID 171406127) has the molecular formula C19H13N3O and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-phenyl-4-(quinolin-2-ylmethylidene)-1H-imidazol-5-one.

Molecular Properties

Compound Name2-phenyl-4-(quinolin-2-ylmethylidene)-1H-imidazol-5-one
PubChem CID171406127
Molecular FormulaC19H13N3O
Molecular Weight299.33 g/mol
Exact Mass299.11
IUPAC Name2-phenyl-4-(quinolin-2-ylmethylidene)-1H-imidazol-5-one
SMILESO=C1NC(c2ccccc2)=NC1=Cc1ccc2ccccc2n1
InChIInChI=1S/C19H13N3O/c23-19-17(21-18(22-19)14-7-2-1-3-8-14)12-15-11-10-13-6-4-5-9-16(13)20-15/h1-12H,(H,21,22,23)
InChIKeyBPDISWAGUYWYMF-UHFFFAOYSA-N
XLogP3.15
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.15
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 2-phenyl-4-(quinolin-2-ylmethylidene)-1H-imidazol-5-one?
The IUPAC name of 2-phenyl-4-(quinolin-2-ylmethylidene)-1H-imidazol-5-one (CID 171406127) is 2-phenyl-4-(quinolin-2-ylmethylidene)-1H-imidazol-5-one.
What is the SMILES notation for 2-phenyl-4-(quinolin-2-ylmethylidene)-1H-imidazol-5-one?
The canonical SMILES for 2-phenyl-4-(quinolin-2-ylmethylidene)-1H-imidazol-5-one is O=C1NC(c2ccccc2)=NC1=Cc1ccc2ccccc2n1.
What is the InChIKey of 2-phenyl-4-(quinolin-2-ylmethylidene)-1H-imidazol-5-one?
The InChIKey is BPDISWAGUYWYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O/c23-19-17(21-18(22-19)14-7-2-1-3-8-14)12-15-11-10-13-6-4-5-9-16(13)20-15/h1-12H,(H,21,22,23).
What are the key properties of 2-phenyl-4-(quinolin-2-ylmethylidene)-1H-imidazol-5-one?
2-phenyl-4-(quinolin-2-ylmethylidene)-1H-imidazol-5-one has a molecular weight of 299.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(quinolin-2-ylmethylidene)-1H-imidazol-5-one is sourced from PubChem (CID 171406127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).