(4Z)-4-benzylidene-2-piperazin-1-yl-1H-imidazol-5-one

C14H16N4O — CID 136619640

IUPAC(4Z)-4-benzylidene-2-piperazin-1-yl-1H-imidazol-5-one
SMILESO=C1NC(N2CCNCC2)=N/C1=C\c1ccccc1
InChIInChI=1S/C14H16N4O/c19-13-12(10-11-4-2-1-3-5-11)16-14(17-13)18-8-6-15-7-9-18/h1-5,10,15H,6-9H2,(H,16,17,19)/b12-10-
InChIKeyVEIRNPBWXFGPTP-BENRWUELSA-N
MW256.31 g/mol
LogP0.42
Rot. Bonds1

About (4Z)-4-benzylidene-2-piperazin-1-yl-1H-imidazol-5-one

(4Z)-4-benzylidene-2-piperazin-1-yl-1H-imidazol-5-one (PubChem CID 136619640) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (4Z)-4-benzylidene-2-piperazin-1-yl-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-benzylidene-2-piperazin-1-yl-1H-imidazol-5-one
PubChem CID136619640
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(4Z)-4-benzylidene-2-piperazin-1-yl-1H-imidazol-5-one
SMILESO=C1NC(N2CCNCC2)=N/C1=C\c1ccccc1
InChIInChI=1S/C14H16N4O/c19-13-12(10-11-4-2-1-3-5-11)16-14(17-13)18-8-6-15-7-9-18/h1-5,10,15H,6-9H2,(H,16,17,19)/b12-10-
InChIKeyVEIRNPBWXFGPTP-BENRWUELSA-N
XLogP0.42
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-benzylidene-2-piperazin-1-yl-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-benzylidene-2-piperazin-1-yl-1H-imidazol-5-one (CID 136619640) is (4Z)-4-benzylidene-2-piperazin-1-yl-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-benzylidene-2-piperazin-1-yl-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-benzylidene-2-piperazin-1-yl-1H-imidazol-5-one is O=C1NC(N2CCNCC2)=N/C1=C\c1ccccc1.
What is the InChIKey of (4Z)-4-benzylidene-2-piperazin-1-yl-1H-imidazol-5-one?
The InChIKey is VEIRNPBWXFGPTP-BENRWUELSA-N. The full InChI is InChI=1S/C14H16N4O/c19-13-12(10-11-4-2-1-3-5-11)16-14(17-13)18-8-6-15-7-9-18/h1-5,10,15H,6-9H2,(H,16,17,19)/b12-10-.
What are the key properties of (4Z)-4-benzylidene-2-piperazin-1-yl-1H-imidazol-5-one?
(4Z)-4-benzylidene-2-piperazin-1-yl-1H-imidazol-5-one has a molecular weight of 256.31 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-benzylidene-2-piperazin-1-yl-1H-imidazol-5-one is sourced from PubChem (CID 136619640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).