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

C19H21N5O2 — CID 89371670

IUPAC(3Z,6Z)-3-[(4-aminophenyl)methylidene]-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
SMILESCC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccc(N)cc2)[nH]c1=O
InChIInChI=1S/C19H21N5O2/c1-19(2,3)16-13(21-10-22-16)9-15-18(26)23-14(17(25)24-15)8-11-4-6-12(20)7-5-11/h4-10H,20H2,1-3H3,(H,21,22)(H,23,26)(H,24,25)/b14-8-,15-9-
InChIKeyFFLFKPJFIZYHJH-SFGFDRCGSA-N
MW351.41 g/mol
LogP0.32
Rot. Bonds2

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

(3Z,6Z)-3-[(4-aminophenyl)methylidene]-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione (PubChem CID 89371670) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is (3Z,6Z)-3-[(4-aminophenyl)methylidene]-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name(3Z,6Z)-3-[(4-aminophenyl)methylidene]-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
PubChem CID89371670
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name(3Z,6Z)-3-[(4-aminophenyl)methylidene]-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
SMILESCC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccc(N)cc2)[nH]c1=O
InChIInChI=1S/C19H21N5O2/c1-19(2,3)16-13(21-10-22-16)9-15-18(26)23-14(17(25)24-15)8-11-4-6-12(20)7-5-11/h4-10H,20H2,1-3H3,(H,21,22)(H,23,26)(H,24,25)/b14-8-,15-9-
InChIKeyFFLFKPJFIZYHJH-SFGFDRCGSA-N
XLogP0.32
TPSA120.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3E,6E)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
CID 21031472
3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-methylidenepiperazine-2,5-dione
CID 140873587
(3E,6E)-3-benzylidene-6-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]piperazine-2,5-dione
CID 23404655
(3E,6E)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(1-methylpyrrol-2-yl)methylidene]piperazine-2,5-dione
CID 21031397
(3E,6E)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-(pyridin-2-ylmethylidene)piperazine-2,5-dione
CID 21031428
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(2,3-dimethylphenyl)methylidene]piperazine-2,5-dione
CID 58649700
3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(4-methyl-1H-pyrazol-5-yl)methylidene]piperazine-2,5-dione
CID 136631052
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-(furan-3-ylmethylidene)piperazine-2,5-dione;2,2,2-trifluoroacetic acid
CID 134152054
3-[(3-benzoylphenyl)methylidene]-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
CID 74385462
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-(pyridin-3-ylmethylidene)piperazine-2,5-dione;bis(2,2,2-trifluoroacetic acid)
CID 134154528
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[[3-(3-chlorobenzoyl)phenyl]methylidene]piperazine-2,5-dione
CID 53308157
(3Z,6Z)-3-[[3-(4-bromobenzoyl)phenyl]methylidene]-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
CID 53307172

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-3-[(4-aminophenyl)methylidene]-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione?
The IUPAC name of (3Z,6Z)-3-[(4-aminophenyl)methylidene]-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione (CID 89371670) is (3Z,6Z)-3-[(4-aminophenyl)methylidene]-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione.
What is the SMILES notation for (3Z,6Z)-3-[(4-aminophenyl)methylidene]-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione?
The canonical SMILES for (3Z,6Z)-3-[(4-aminophenyl)methylidene]-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione is CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccc(N)cc2)[nH]c1=O.
What is the InChIKey of (3Z,6Z)-3-[(4-aminophenyl)methylidene]-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione?
The InChIKey is FFLFKPJFIZYHJH-SFGFDRCGSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-19(2,3)16-13(21-10-22-16)9-15-18(26)23-14(17(25)24-15)8-11-4-6-12(20)7-5-11/h4-10H,20H2,1-3H3,(H,21,22)(H,23,26)(H,24,25)/b14-8-,15-9-.
What are the key properties of (3Z,6Z)-3-[(4-aminophenyl)methylidene]-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione?
(3Z,6Z)-3-[(4-aminophenyl)methylidene]-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione has a molecular weight of 351.41 g/mol, XLogP of 0.32, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-3-[(4-aminophenyl)methylidene]-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione is sourced from PubChem (CID 89371670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).