5-imidazol-1-yl-1-(8-phenyl-1,6-naphthyridin-2-yl)pentan-1-one

C22H20N4O — CID 161426193

IUPAC5-imidazol-1-yl-1-(8-phenyl-1,6-naphthyridin-2-yl)pentan-1-one
SMILESO=C(CCCCn1ccnc1)c1ccc2cncc(-c3ccccc3)c2n1
InChIInChI=1S/C22H20N4O/c27-21(8-4-5-12-26-13-11-23-16-26)20-10-9-18-14-24-15-19(22(18)25-20)17-6-2-1-3-7-17/h1-3,6-7,9-11,13-16H,4-5,8,12H2
InChIKeyVXJUKOQTSXUPGM-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.55
Rot. Bonds7

About 5-imidazol-1-yl-1-(8-phenyl-1,6-naphthyridin-2-yl)pentan-1-one

5-imidazol-1-yl-1-(8-phenyl-1,6-naphthyridin-2-yl)pentan-1-one (PubChem CID 161426193) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-imidazol-1-yl-1-(8-phenyl-1,6-naphthyridin-2-yl)pentan-1-one.

Molecular Properties

Compound Name5-imidazol-1-yl-1-(8-phenyl-1,6-naphthyridin-2-yl)pentan-1-one
PubChem CID161426193
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name5-imidazol-1-yl-1-(8-phenyl-1,6-naphthyridin-2-yl)pentan-1-one
SMILESO=C(CCCCn1ccnc1)c1ccc2cncc(-c3ccccc3)c2n1
InChIInChI=1S/C22H20N4O/c27-21(8-4-5-12-26-13-11-23-16-26)20-10-9-18-14-24-15-19(22(18)25-20)17-6-2-1-3-7-17/h1-3,6-7,9-11,13-16H,4-5,8,12H2
InChIKeyVXJUKOQTSXUPGM-UHFFFAOYSA-N
XLogP4.55
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-imidazol-1-ylpropan-1-amine;8-thiophen-3-yl-1,6-naphthyridine-2-carboxylic acid
CID 90177327
1-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one
CID 58128785
1-[4-(2-phenylphenoxy)butyl]imidazole
CID 4998739
1-(4-phenylsulfanylbutyl)imidazole
CID 58580494
1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one
CID 58128796
(8-phenyl-1,6-naphthyridin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 3378385
3-imidazol-1-yl-1-naphthalen-2-ylpropan-1-one
CID 3058924
2-(5-imidazol-1-ylpentanoyl)-1,3-thiazole-4-carboxamide
CID 18788283
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194
5-imidazol-1-yl-1-[2-(3-methylsulfonylphenyl)-3-phenylquinoxalin-6-yl]pentan-1-one
CID 159480935
1-(8-phenyloctyl)imidazole
CID 102394184
5-imidazol-1-yl-2-oxopentanoic acid
CID 174329319

Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-1-(8-phenyl-1,6-naphthyridin-2-yl)pentan-1-one?
The IUPAC name of 5-imidazol-1-yl-1-(8-phenyl-1,6-naphthyridin-2-yl)pentan-1-one (CID 161426193) is 5-imidazol-1-yl-1-(8-phenyl-1,6-naphthyridin-2-yl)pentan-1-one.
What is the SMILES notation for 5-imidazol-1-yl-1-(8-phenyl-1,6-naphthyridin-2-yl)pentan-1-one?
The canonical SMILES for 5-imidazol-1-yl-1-(8-phenyl-1,6-naphthyridin-2-yl)pentan-1-one is O=C(CCCCn1ccnc1)c1ccc2cncc(-c3ccccc3)c2n1.
What is the InChIKey of 5-imidazol-1-yl-1-(8-phenyl-1,6-naphthyridin-2-yl)pentan-1-one?
The InChIKey is VXJUKOQTSXUPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c27-21(8-4-5-12-26-13-11-23-16-26)20-10-9-18-14-24-15-19(22(18)25-20)17-6-2-1-3-7-17/h1-3,6-7,9-11,13-16H,4-5,8,12H2.
What are the key properties of 5-imidazol-1-yl-1-(8-phenyl-1,6-naphthyridin-2-yl)pentan-1-one?
5-imidazol-1-yl-1-(8-phenyl-1,6-naphthyridin-2-yl)pentan-1-one has a molecular weight of 356.43 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-1-(8-phenyl-1,6-naphthyridin-2-yl)pentan-1-one is sourced from PubChem (CID 161426193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).