imidazol-1-yl-(4-pyridin-2-ylphenyl)methanone

C15H11N3O — CID 110464843

IUPACimidazol-1-yl-(4-pyridin-2-ylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccn2)cc1)n1ccnc1
InChIInChI=1S/C15H11N3O/c19-15(18-10-9-16-11-18)13-6-4-12(5-7-13)14-3-1-2-8-17-14/h1-11H
InChIKeyQXNZEDMESNBTEJ-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.63
Rot. Bonds2

About imidazol-1-yl-(4-pyridin-2-ylphenyl)methanone

imidazol-1-yl-(4-pyridin-2-ylphenyl)methanone (PubChem CID 110464843) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is imidazol-1-yl-(4-pyridin-2-ylphenyl)methanone.

Molecular Properties

Compound Nameimidazol-1-yl-(4-pyridin-2-ylphenyl)methanone
PubChem CID110464843
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Nameimidazol-1-yl-(4-pyridin-2-ylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccn2)cc1)n1ccnc1
InChIInChI=1S/C15H11N3O/c19-15(18-10-9-16-11-18)13-6-4-12(5-7-13)14-3-1-2-8-17-14/h1-11H
InChIKeyQXNZEDMESNBTEJ-UHFFFAOYSA-N
XLogP2.63
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of imidazol-1-yl-(4-pyridin-2-ylphenyl)methanone?
The IUPAC name of imidazol-1-yl-(4-pyridin-2-ylphenyl)methanone (CID 110464843) is imidazol-1-yl-(4-pyridin-2-ylphenyl)methanone.
What is the SMILES notation for imidazol-1-yl-(4-pyridin-2-ylphenyl)methanone?
The canonical SMILES for imidazol-1-yl-(4-pyridin-2-ylphenyl)methanone is O=C(c1ccc(-c2ccccn2)cc1)n1ccnc1.
What is the InChIKey of imidazol-1-yl-(4-pyridin-2-ylphenyl)methanone?
The InChIKey is QXNZEDMESNBTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c19-15(18-10-9-16-11-18)13-6-4-12(5-7-13)14-3-1-2-8-17-14/h1-11H.
What are the key properties of imidazol-1-yl-(4-pyridin-2-ylphenyl)methanone?
imidazol-1-yl-(4-pyridin-2-ylphenyl)methanone has a molecular weight of 249.27 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yl-(4-pyridin-2-ylphenyl)methanone is sourced from PubChem (CID 110464843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).