(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(E)-3-(3-methylphenyl)prop-2-enylidene]piperazine-2,5-dione

C22H24N4O2 — CID 166987529

IUPAC(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(E)-3-(3-methylphenyl)prop-2-enylidene]piperazine-2,5-dione
SMILESCc1cccc(/C=C/C=c2\[nH]c(=O)/c(=C/c3nc[nH]c3C(C)(C)C)[nH]c2=O)c1
InChIInChI=1S/C22H24N4O2/c1-14-7-5-8-15(11-14)9-6-10-16-20(27)26-18(21(28)25-16)12-17-19(22(2,3)4)24-13-23-17/h5-13H,1-4H3,(H,23,24)(H,25,28)(H,26,27)/b9-6+,16-10-,18-12-
InChIKeySDGNHNMVWGWOIM-PHJMKNLXSA-N
MW376.46 g/mol
LogP1.71
Rot. Bonds3

About (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(E)-3-(3-methylphenyl)prop-2-enylidene]piperazine-2,5-dione

(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(E)-3-(3-methylphenyl)prop-2-enylidene]piperazine-2,5-dione (PubChem CID 166987529) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(E)-3-(3-methylphenyl)prop-2-enylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(E)-3-(3-methylphenyl)prop-2-enylidene]piperazine-2,5-dione
PubChem CID166987529
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(E)-3-(3-methylphenyl)prop-2-enylidene]piperazine-2,5-dione
SMILESCc1cccc(/C=C/C=c2\[nH]c(=O)/c(=C/c3nc[nH]c3C(C)(C)C)[nH]c2=O)c1
InChIInChI=1S/C22H24N4O2/c1-14-7-5-8-15(11-14)9-6-10-16-20(27)26-18(21(28)25-16)12-17-19(22(2,3)4)24-13-23-17/h5-13H,1-4H3,(H,23,24)(H,25,28)(H,26,27)/b9-6+,16-10-,18-12-
InChIKeySDGNHNMVWGWOIM-PHJMKNLXSA-N
XLogP1.71
TPSA94.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(E)-3-(3-methylphenyl)prop-2-enylidene]piperazine-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(E)-3-(3-methylphenyl)prop-2-enylidene]piperazine-2,5-dione?
The IUPAC name of (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(E)-3-(3-methylphenyl)prop-2-enylidene]piperazine-2,5-dione (CID 166987529) is (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(E)-3-(3-methylphenyl)prop-2-enylidene]piperazine-2,5-dione.
What is the SMILES notation for (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(E)-3-(3-methylphenyl)prop-2-enylidene]piperazine-2,5-dione?
The canonical SMILES for (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(E)-3-(3-methylphenyl)prop-2-enylidene]piperazine-2,5-dione is Cc1cccc(/C=C/C=c2\[nH]c(=O)/c(=C/c3nc[nH]c3C(C)(C)C)[nH]c2=O)c1.
What is the InChIKey of (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(E)-3-(3-methylphenyl)prop-2-enylidene]piperazine-2,5-dione?
The InChIKey is SDGNHNMVWGWOIM-PHJMKNLXSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-7-5-8-15(11-14)9-6-10-16-20(27)26-18(21(28)25-16)12-17-19(22(2,3)4)24-13-23-17/h5-13H,1-4H3,(H,23,24)(H,25,28)(H,26,27)/b9-6+,16-10-,18-12-.
What are the key properties of (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(E)-3-(3-methylphenyl)prop-2-enylidene]piperazine-2,5-dione?
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(E)-3-(3-methylphenyl)prop-2-enylidene]piperazine-2,5-dione has a molecular weight of 376.46 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(E)-3-(3-methylphenyl)prop-2-enylidene]piperazine-2,5-dione is sourced from PubChem (CID 166987529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).