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

C16H14N4O2 — CID 56955044

IUPAC(3Z,6Z)-3-benzylidene-6-[(5-methyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
SMILESCc1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O
InChIInChI=1S/C16H14N4O2/c1-10-12(18-9-17-10)8-14-16(22)19-13(15(21)20-14)7-11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18)(H,19,22)(H,20,21)/b13-7-,14-8-
InChIKeyDGYUPUJNJNIPTA-PVRNWPCDSA-N
MW294.31 g/mol
LogP-0.25
Rot. Bonds2

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

(3Z,6Z)-3-benzylidene-6-[(5-methyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione (PubChem CID 56955044) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is (3Z,6Z)-3-benzylidene-6-[(5-methyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name(3Z,6Z)-3-benzylidene-6-[(5-methyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
PubChem CID56955044
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name(3Z,6Z)-3-benzylidene-6-[(5-methyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
SMILESCc1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O
InChIInChI=1S/C16H14N4O2/c1-10-12(18-9-17-10)8-14-16(22)19-13(15(21)20-14)7-11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18)(H,19,22)(H,20,21)/b13-7-,14-8-
InChIKeyDGYUPUJNJNIPTA-PVRNWPCDSA-N
XLogP-0.25
TPSA94.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-3-benzylidene-6-[(5-methyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione?
The IUPAC name of (3Z,6Z)-3-benzylidene-6-[(5-methyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione (CID 56955044) is (3Z,6Z)-3-benzylidene-6-[(5-methyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione.
What is the SMILES notation for (3Z,6Z)-3-benzylidene-6-[(5-methyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione?
The canonical SMILES for (3Z,6Z)-3-benzylidene-6-[(5-methyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione is Cc1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O.
What is the InChIKey of (3Z,6Z)-3-benzylidene-6-[(5-methyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione?
The InChIKey is DGYUPUJNJNIPTA-PVRNWPCDSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-10-12(18-9-17-10)8-14-16(22)19-13(15(21)20-14)7-11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18)(H,19,22)(H,20,21)/b13-7-,14-8-.
What are the key properties of (3Z,6Z)-3-benzylidene-6-[(5-methyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione?
(3Z,6Z)-3-benzylidene-6-[(5-methyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione has a molecular weight of 294.31 g/mol, XLogP of -0.25, 2 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-methyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione is sourced from PubChem (CID 56955044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).