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

C18H20N4O3 — CID 56953624

IUPAC(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(5-methylfuran-2-yl)methylidene]piperazine-2,5-dione
SMILESCc1ccc(/C=c2\[nH]c(=O)/c(=C/c3nc[nH]c3C(C)(C)C)[nH]c2=O)o1
InChIInChI=1S/C18H20N4O3/c1-10-5-6-11(25-10)7-13-16(23)22-14(17(24)21-13)8-12-15(18(2,3)4)20-9-19-12/h5-9H,1-4H3,(H,19,20)(H,21,24)(H,22,23)/b13-7-,14-8-
InChIKeyZGHZNHLZIXITAE-PVRNWPCDSA-N
MW340.38 g/mol
LogP0.64
Rot. Bonds2

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

(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(5-methylfuran-2-yl)methylidene]piperazine-2,5-dione (PubChem CID 56953624) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(5-methylfuran-2-yl)methylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(5-methylfuran-2-yl)methylidene]piperazine-2,5-dione
PubChem CID56953624
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(5-methylfuran-2-yl)methylidene]piperazine-2,5-dione
SMILESCc1ccc(/C=c2\[nH]c(=O)/c(=C/c3nc[nH]c3C(C)(C)C)[nH]c2=O)o1
InChIInChI=1S/C18H20N4O3/c1-10-5-6-11(25-10)7-13-16(23)22-14(17(24)21-13)8-12-15(18(2,3)4)20-9-19-12/h5-9H,1-4H3,(H,19,20)(H,21,24)(H,22,23)/b13-7-,14-8-
InChIKeyZGHZNHLZIXITAE-PVRNWPCDSA-N
XLogP0.64
TPSA107.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(5-chlorofuran-2-yl)methylidene]piperazine-2,5-dione
CID 16067604
(3Z,6Z)-3-[[5-(1,1-Dimethylethyl)-1H-imidazol-4-yl]methylene]-6-[(4-methoxyphenyl)methylene]-2,5-piperazinedione
CID 16068656
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-(furan-2-ylmethylidene)piperazine-2,5-dione
CID 16068870
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(3-ethoxyphenyl)methylidene]piperazine-2,5-dione
CID 16068978
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-(furan-3-ylmethylidene)piperazine-2,5-dione
CID 56953625
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(2-methoxyphenyl)methylidene]piperazine-2,5-dione
CID 56955049
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(3-methoxyphenyl)methylidene]piperazine-2,5-dione
CID 56955156
(3E,6E)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(2-methoxyphenyl)methylidene]piperazine-2,5-dione
CID 21031424
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[[3-(furan-3-carbonyl)phenyl]methylidene]piperazine-2,5-dione
CID 145968347
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[[3-(furan-2-carbonyl)phenyl]methylidene]piperazine-2,5-dione
CID 145970590
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(3-phenoxyphenyl)methylidene]piperazine-2,5-dione
CID 156014616
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(5-chlorofuran-2-yl)methylidene]piperazine-2,5-dione;2,2,2-trifluoroacetic acid
CID 134138602

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(5-methylfuran-2-yl)methylidene]piperazine-2,5-dione?
The IUPAC name of (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(5-methylfuran-2-yl)methylidene]piperazine-2,5-dione (CID 56953624) is (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(5-methylfuran-2-yl)methylidene]piperazine-2,5-dione.
What is the SMILES notation for (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(5-methylfuran-2-yl)methylidene]piperazine-2,5-dione?
The canonical SMILES for (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(5-methylfuran-2-yl)methylidene]piperazine-2,5-dione is Cc1ccc(/C=c2\[nH]c(=O)/c(=C/c3nc[nH]c3C(C)(C)C)[nH]c2=O)o1.
What is the InChIKey of (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(5-methylfuran-2-yl)methylidene]piperazine-2,5-dione?
The InChIKey is ZGHZNHLZIXITAE-PVRNWPCDSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-10-5-6-11(25-10)7-13-16(23)22-14(17(24)21-13)8-12-15(18(2,3)4)20-9-19-12/h5-9H,1-4H3,(H,19,20)(H,21,24)(H,22,23)/b13-7-,14-8-.
What are the key properties of (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(5-methylfuran-2-yl)methylidene]piperazine-2,5-dione?
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(5-methylfuran-2-yl)methylidene]piperazine-2,5-dione has a molecular weight of 340.38 g/mol, XLogP of 0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(5-methylfuran-2-yl)methylidene]piperazine-2,5-dione is sourced from PubChem (CID 56953624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).