(3Z,6Z)-3-benzylidene-6-[(5-propan-2-yl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione;ethane

C20H24N4O2 — CID 145195747

IUPAC(3Z,6Z)-3-benzylidene-6-[(5-propan-2-yl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione;ethane
SMILESCC.CC(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O
InChIInChI=1S/C18H18N4O2.C2H6/c1-11(2)16-13(19-10-20-16)9-15-18(24)21-14(17(23)22-15)8-12-6-4-3-5-7-12;1-2/h3-11H,1-2H3,(H,19,20)(H,21,24)(H,22,23);1-2H3/b14-8-,15-9-;
InChIKeyDKXKTLOFMSOERT-MTGQLBPLSA-N
MW352.44 g/mol
LogP1.59
Rot. Bonds3

About (3Z,6Z)-3-benzylidene-6-[(5-propan-2-yl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione;ethane

(3Z,6Z)-3-benzylidene-6-[(5-propan-2-yl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione;ethane (PubChem CID 145195747) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (3Z,6Z)-3-benzylidene-6-[(5-propan-2-yl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione;ethane.

Molecular Properties

Compound Name(3Z,6Z)-3-benzylidene-6-[(5-propan-2-yl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione;ethane
PubChem CID145195747
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(3Z,6Z)-3-benzylidene-6-[(5-propan-2-yl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione;ethane
SMILESCC.CC(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O
InChIInChI=1S/C18H18N4O2.C2H6/c1-11(2)16-13(19-10-20-16)9-15-18(24)21-14(17(23)22-15)8-12-6-4-3-5-7-12;1-2/h3-11H,1-2H3,(H,19,20)(H,21,24)(H,22,23);1-2H3/b14-8-,15-9-;
InChIKeyDKXKTLOFMSOERT-MTGQLBPLSA-N
XLogP1.59
TPSA94.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3Z,6Z)-3-benzylidene-6-[(5-methyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
CID 56955044
(3E,6E)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
CID 21031472
(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)-3,6-dibenzylidenepiperazine-2,5-dione
CID 6992142
3-benzylidene-6-[[4-(2-methylpropanoyl)-1H-imidazol-5-yl]methylidene]piperazine-2,5-dione
CID 175524792
(3Z,6Z)-3-[(4-aminophenyl)methylidene]-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
CID 89371670
3-[(3-benzoylphenyl)methylidene]-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
CID 74385462
(3E,6Z)-3-benzylidene-6-[(5-methyl-2-pyridinyl)methylidene]piperazine-2,5-dione
CID 20597820
3-benzylidene-6-propylidenepiperazine-2,5-dione
CID 3866178
(3E,6E)-3-benzylidene-6-[(E)-but-2-enylidene]piperazine-2,5-dione
CID 54610923
(3E,6E)-3-benzylidene-6-but-2-enylidenepiperazine-2,5-dione
CID 5359203
(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

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-3-benzylidene-6-[(5-propan-2-yl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione;ethane?
The IUPAC name of (3Z,6Z)-3-benzylidene-6-[(5-propan-2-yl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione;ethane (CID 145195747) is (3Z,6Z)-3-benzylidene-6-[(5-propan-2-yl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione;ethane.
What is the SMILES notation for (3Z,6Z)-3-benzylidene-6-[(5-propan-2-yl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione;ethane?
The canonical SMILES for (3Z,6Z)-3-benzylidene-6-[(5-propan-2-yl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione;ethane is CC.CC(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O.
What is the InChIKey of (3Z,6Z)-3-benzylidene-6-[(5-propan-2-yl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione;ethane?
The InChIKey is DKXKTLOFMSOERT-MTGQLBPLSA-N. The full InChI is InChI=1S/C18H18N4O2.C2H6/c1-11(2)16-13(19-10-20-16)9-15-18(24)21-14(17(23)22-15)8-12-6-4-3-5-7-12;1-2/h3-11H,1-2H3,(H,19,20)(H,21,24)(H,22,23);1-2H3/b14-8-,15-9-;.
What are the key properties of (3Z,6Z)-3-benzylidene-6-[(5-propan-2-yl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione;ethane?
(3Z,6Z)-3-benzylidene-6-[(5-propan-2-yl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione;ethane has a molecular weight of 352.44 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-3-benzylidene-6-[(5-propan-2-yl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione;ethane is sourced from PubChem (CID 145195747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).