3-(4-imidazol-1-ylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one

C17H18N4O — CID 59620558

IUPAC3-(4-imidazol-1-ylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one
SMILESO=C1NC2(CCCCC2)N=C1c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H18N4O/c22-16-15(19-17(20-16)8-2-1-3-9-17)13-4-6-14(7-5-13)21-11-10-18-12-21/h4-7,10-12H,1-3,8-9H2,(H,20,22)
InChIKeyLOJBWLLKSSRMCG-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.45
Rot. Bonds2

About 3-(4-imidazol-1-ylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one

3-(4-imidazol-1-ylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 59620558) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-(4-imidazol-1-ylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-(4-imidazol-1-ylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one
PubChem CID59620558
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name3-(4-imidazol-1-ylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one
SMILESO=C1NC2(CCCCC2)N=C1c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H18N4O/c22-16-15(19-17(20-16)8-2-1-3-9-17)13-4-6-14(7-5-13)21-11-10-18-12-21/h4-7,10-12H,1-3,8-9H2,(H,20,22)
InChIKeyLOJBWLLKSSRMCG-UHFFFAOYSA-N
XLogP2.45
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-imidazol-1-ylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
CID 102142171
1-(4-imidazol-1-ylphenyl)cyclopentane-1-carboxylic acid
CID 117394133
(4-imidazol-1-ylphenyl)arsane
CID 173134933
1-(4-fluorophenyl)imidazole;hydrobromide
CID 175571353
3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 3021729
4-(4-imidazol-1-ylphenyl)benzenesulfonyl chloride
CID 141011983
4-(4-imidazol-1-ylphenyl)-1H-1,2,4-triazol-5-one
CID 10704484
1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]imidazole
CID 104688153
3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine
CID 91579296
azepan-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 110464231
8-(4-chlorobenzoyl)-3-(4-chlorophenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20911516
1-[(4-imidazol-1-ylphenyl)methyl]azocane
CID 167953311

Frequently Asked Questions

What is the IUPAC name of 3-(4-imidazol-1-ylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-(4-imidazol-1-ylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one (CID 59620558) is 3-(4-imidazol-1-ylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-(4-imidazol-1-ylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-(4-imidazol-1-ylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one is O=C1NC2(CCCCC2)N=C1c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 3-(4-imidazol-1-ylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is LOJBWLLKSSRMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c22-16-15(19-17(20-16)8-2-1-3-9-17)13-4-6-14(7-5-13)21-11-10-18-12-21/h4-7,10-12H,1-3,8-9H2,(H,20,22).
What are the key properties of 3-(4-imidazol-1-ylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one?
3-(4-imidazol-1-ylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 294.36 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-imidazol-1-ylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 59620558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).