4-benzylidene-2-piperidin-1-yl-1H-imidazol-5-one

C15H17N3O — CID 135489838

IUPAC4-benzylidene-2-piperidin-1-yl-1H-imidazol-5-one
SMILESO=C1NC(N2CCCCC2)=NC1=Cc1ccccc1
InChIInChI=1S/C15H17N3O/c19-14-13(11-12-7-3-1-4-8-12)16-15(17-14)18-9-5-2-6-10-18/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,16,17,19)
InChIKeyDHDTXFMVVIDZQQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.00
Rot. Bonds1

About 4-benzylidene-2-piperidin-1-yl-1H-imidazol-5-one

4-benzylidene-2-piperidin-1-yl-1H-imidazol-5-one (PubChem CID 135489838) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-benzylidene-2-piperidin-1-yl-1H-imidazol-5-one.

Molecular Properties

Compound Name4-benzylidene-2-piperidin-1-yl-1H-imidazol-5-one
PubChem CID135489838
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-benzylidene-2-piperidin-1-yl-1H-imidazol-5-one
SMILESO=C1NC(N2CCCCC2)=NC1=Cc1ccccc1
InChIInChI=1S/C15H17N3O/c19-14-13(11-12-7-3-1-4-8-12)16-15(17-14)18-9-5-2-6-10-18/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,16,17,19)
InChIKeyDHDTXFMVVIDZQQ-UHFFFAOYSA-N
XLogP2.00
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-benzylidene-2-piperidin-1-yl-1H-imidazol-5-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

(4Z)-4-benzylidene-2-piperazin-1-yl-1H-imidazol-5-one
CID 136619640
4-[(4-hydroxyphenyl)methylidene]-2-morpholin-4-yl-1H-imidazol-5-one
CID 135444044
(4E)-2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136801827
(4Z)-4-(9H-fluoren-2-ylmethylidene)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-imidazol-5-one;hydrochloride
CID 136619591
(1Z)-1-benzylidene-3-pyrrolidin-1-ylisoindole
CID 139114628
(4Z)-4-(phenanthren-9-ylmethylidene)-2-piperazin-1-yl-1H-imidazol-5-one
CID 137133446
(4E)-4-benzylidene-2-(oxan-4-yl)-1H-imidazol-5-one
CID 136893396
(4E)-2-(2-chlorophenyl)-4-(pyridin-4-ylmethylidene)-1H-imidazol-5-one
CID 136893309
4-benzylidene-2-(2-benzylidenehydrazinyl)-1H-imidazol-5-one
CID 135401845
(4E)-4-benzylidene-2-[(2Z)-2-benzylidenehydrazinyl]-1H-imidazol-5-one
CID 135505119
(5E)-5-benzylidene-3-methyl-1,2-dihydro-1,2,4-triazin-6-one
CID 17463875
(4Z)-4-benzylidene-2-[(4-phenyl-2-sulfanylideneimidazolidin-1-yl)amino]-1H-imidazol-5-one
CID 135611095

Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-2-piperidin-1-yl-1H-imidazol-5-one?
The IUPAC name of 4-benzylidene-2-piperidin-1-yl-1H-imidazol-5-one (CID 135489838) is 4-benzylidene-2-piperidin-1-yl-1H-imidazol-5-one.
What is the SMILES notation for 4-benzylidene-2-piperidin-1-yl-1H-imidazol-5-one?
The canonical SMILES for 4-benzylidene-2-piperidin-1-yl-1H-imidazol-5-one is O=C1NC(N2CCCCC2)=NC1=Cc1ccccc1.
What is the InChIKey of 4-benzylidene-2-piperidin-1-yl-1H-imidazol-5-one?
The InChIKey is DHDTXFMVVIDZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-14-13(11-12-7-3-1-4-8-12)16-15(17-14)18-9-5-2-6-10-18/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,16,17,19).
What are the key properties of 4-benzylidene-2-piperidin-1-yl-1H-imidazol-5-one?
4-benzylidene-2-piperidin-1-yl-1H-imidazol-5-one has a molecular weight of 255.32 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-2-piperidin-1-yl-1H-imidazol-5-one is sourced from PubChem (CID 135489838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).