3-[(5-propan-2-yl-2-prop-1-enyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione

C14H18N4O2 — CID 175979338

IUPAC3-[(5-propan-2-yl-2-prop-1-enyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
SMILESCC=Cc1nc(C=C2NC(=O)CNC2=O)c(C(C)C)[nH]1
InChIInChI=1S/C14H18N4O2/c1-4-5-11-16-9(13(18-11)8(2)3)6-10-14(20)15-7-12(19)17-10/h4-6,8H,7H2,1-3H3,(H,15,20)(H,16,18)(H,17,19)
InChIKeyHWHCSKHEQZPZPC-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.15
Rot. Bonds3

About 3-[(5-propan-2-yl-2-prop-1-enyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione

3-[(5-propan-2-yl-2-prop-1-enyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione (PubChem CID 175979338) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[(5-propan-2-yl-2-prop-1-enyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name3-[(5-propan-2-yl-2-prop-1-enyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
PubChem CID175979338
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-[(5-propan-2-yl-2-prop-1-enyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
SMILESCC=Cc1nc(C=C2NC(=O)CNC2=O)c(C(C)C)[nH]1
InChIInChI=1S/C14H18N4O2/c1-4-5-11-16-9(13(18-11)8(2)3)6-10-14(20)15-7-12(19)17-10/h4-6,8H,7H2,1-3H3,(H,15,20)(H,16,18)(H,17,19)
InChIKeyHWHCSKHEQZPZPC-UHFFFAOYSA-N
XLogP1.15
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(5-propan-2-yl-2-prop-1-enyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione with MolForge

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Related Compounds

(3Z)-3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione
CID 5467549
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-(cyclohexylmethylidene)piperazine-2,5-dione
CID 56953626
(3Z,6S)-3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione
CID 11358551
Aurantiamine
CID 15487888
3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione
CID 375594
Gartryprostatin C
CID 142908295
(3Z)-3-[[5-(3-methylbut-2-enyl)-1H-imidazol-4-yl]methylidene]piperazine-2,5-dione
CID 177646388
(3Z)-1-Acetyl-3-[[5-(1,1-dimethylethyl)-1H-imidazol-4-yl]methylene]-2,5-piperazinedione
CID 56955043
(z)-1-Acetyl-3-((5-(t-butyl)-2-iodo-1h-imidazol-4-yl)methylene)piperazine-2,5-dione
CID 170565570
(z)-1-Acetyl-3-((5-(t-butyl)-2-chloro-1h-imidazol-4-yl)methylene)piperazine-2,5-dione
CID 171364258
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(5-methyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
CID 58649697
(3Z,6Z)-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-3-(cyclohexa-1,5-dien-1-ylmethylidene)-1-fluoropiperazine-2,5-dione
CID 134251575

Frequently Asked Questions

What is the IUPAC name of 3-[(5-propan-2-yl-2-prop-1-enyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione?
The IUPAC name of 3-[(5-propan-2-yl-2-prop-1-enyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione (CID 175979338) is 3-[(5-propan-2-yl-2-prop-1-enyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione.
What is the SMILES notation for 3-[(5-propan-2-yl-2-prop-1-enyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione?
The canonical SMILES for 3-[(5-propan-2-yl-2-prop-1-enyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione is CC=Cc1nc(C=C2NC(=O)CNC2=O)c(C(C)C)[nH]1.
What is the InChIKey of 3-[(5-propan-2-yl-2-prop-1-enyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione?
The InChIKey is HWHCSKHEQZPZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-4-5-11-16-9(13(18-11)8(2)3)6-10-14(20)15-7-12(19)17-10/h4-6,8H,7H2,1-3H3,(H,15,20)(H,16,18)(H,17,19).
What are the key properties of 3-[(5-propan-2-yl-2-prop-1-enyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione?
3-[(5-propan-2-yl-2-prop-1-enyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione has a molecular weight of 274.32 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-propan-2-yl-2-prop-1-enyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione is sourced from PubChem (CID 175979338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).