1H-imidazol-5-yl(quinolin-5-yl)methanone

C13H9N3O — CID 59749571

IUPAC1H-imidazol-5-yl(quinolin-5-yl)methanone
SMILESO=C(c1cnc[nH]1)c1cccc2ncccc12
InChIInChI=1S/C13H9N3O/c17-13(12-7-14-8-16-12)10-3-1-5-11-9(10)4-2-6-15-11/h1-8H,(H,14,16)
InChIKeyHLNOMSCZRYDSPH-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.19
Rot. Bonds2

About 1H-imidazol-5-yl(quinolin-5-yl)methanone

1H-imidazol-5-yl(quinolin-5-yl)methanone (PubChem CID 59749571) has the molecular formula C13H9N3O and a molecular weight of 223.24 g/mol. Its IUPAC name is 1H-imidazol-5-yl(quinolin-5-yl)methanone.

Molecular Properties

Compound Name1H-imidazol-5-yl(quinolin-5-yl)methanone
PubChem CID59749571
Molecular FormulaC13H9N3O
Molecular Weight223.24 g/mol
Exact Mass223.07
IUPAC Name1H-imidazol-5-yl(quinolin-5-yl)methanone
SMILESO=C(c1cnc[nH]1)c1cccc2ncccc12
InChIInChI=1S/C13H9N3O/c17-13(12-7-14-8-16-12)10-3-1-5-11-9(10)4-2-6-15-11/h1-8H,(H,14,16)
InChIKeyHLNOMSCZRYDSPH-UHFFFAOYSA-N
XLogP2.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1H-imidazol-5-yl(quinolin-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-5-yl(quinolin-5-yl)methanone?
The IUPAC name of 1H-imidazol-5-yl(quinolin-5-yl)methanone (CID 59749571) is 1H-imidazol-5-yl(quinolin-5-yl)methanone.
What is the SMILES notation for 1H-imidazol-5-yl(quinolin-5-yl)methanone?
The canonical SMILES for 1H-imidazol-5-yl(quinolin-5-yl)methanone is O=C(c1cnc[nH]1)c1cccc2ncccc12.
What is the InChIKey of 1H-imidazol-5-yl(quinolin-5-yl)methanone?
The InChIKey is HLNOMSCZRYDSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c17-13(12-7-14-8-16-12)10-3-1-5-11-9(10)4-2-6-15-11/h1-8H,(H,14,16).
What are the key properties of 1H-imidazol-5-yl(quinolin-5-yl)methanone?
1H-imidazol-5-yl(quinolin-5-yl)methanone has a molecular weight of 223.24 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-5-yl(quinolin-5-yl)methanone is sourced from PubChem (CID 59749571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).