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

C22H26N4O4 — CID 142908337

IUPAC(3Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[2-(2,4-dimethoxyphenyl)ethylidene]piperazine-2,5-dione
SMILESCOc1ccc(CC=c2[nH]c(=O)/c(=C/c3nc[nH]c3C(C)(C)C)[nH]c2=O)c(OC)c1
InChIInChI=1S/C22H26N4O4/c1-22(2,3)19-16(23-12-24-19)11-17-21(28)25-15(20(27)26-17)9-7-13-6-8-14(29-4)10-18(13)30-5/h6,8-12H,7H2,1-5H3,(H,23,24)(H,25,28)(H,26,27)/b15-9?,17-11-
InChIKeyPWBOMOMBOIKLPM-RNWZVKJTSA-N
MW410.47 g/mol
LogP0.95
Rot. Bonds5

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

(3Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[2-(2,4-dimethoxyphenyl)ethylidene]piperazine-2,5-dione (PubChem CID 142908337) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is (3Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[2-(2,4-dimethoxyphenyl)ethylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name(3Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[2-(2,4-dimethoxyphenyl)ethylidene]piperazine-2,5-dione
PubChem CID142908337
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name(3Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[2-(2,4-dimethoxyphenyl)ethylidene]piperazine-2,5-dione
SMILESCOc1ccc(CC=c2[nH]c(=O)/c(=C/c3nc[nH]c3C(C)(C)C)[nH]c2=O)c(OC)c1
InChIInChI=1S/C22H26N4O4/c1-22(2,3)19-16(23-12-24-19)11-17-21(28)25-15(20(27)26-17)9-7-13-6-8-14(29-4)10-18(13)30-5/h6,8-12H,7H2,1-5H3,(H,23,24)(H,25,28)(H,26,27)/b15-9?,17-11-
InChIKeyPWBOMOMBOIKLPM-RNWZVKJTSA-N
XLogP0.95
TPSA112.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[[3-(2,5-dimethoxybenzoyl)phenyl]methylidene]piperazine-2,5-dione
CID 53308242
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(3-methoxythiophen-2-yl)methylidene]piperazine-2,5-dione;2,2,2-trifluoroacetic acid
CID 134137969
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(2,3-dimethylphenyl)methylidene]piperazine-2,5-dione
CID 58649700
(3E,6E)-3-benzylidene-6-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]piperazine-2,5-dione
CID 23404655
(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-benzylidene-6-[(5-methyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
CID 56955044
1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene
CID 82255129
1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane
CID 158953080
2-[6-[(2,4-dimethoxyphenyl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]acetic acid
CID 82554419
6-[(2,5-dimethoxyphenyl)methoxy]-3H-quinazolin-4-one
CID 135752751
1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene
CID 175463366
2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-4-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one
CID 135933162

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[2-(2,4-dimethoxyphenyl)ethylidene]piperazine-2,5-dione?
The IUPAC name of (3Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[2-(2,4-dimethoxyphenyl)ethylidene]piperazine-2,5-dione (CID 142908337) is (3Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[2-(2,4-dimethoxyphenyl)ethylidene]piperazine-2,5-dione.
What is the SMILES notation for (3Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[2-(2,4-dimethoxyphenyl)ethylidene]piperazine-2,5-dione?
The canonical SMILES for (3Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[2-(2,4-dimethoxyphenyl)ethylidene]piperazine-2,5-dione is COc1ccc(CC=c2[nH]c(=O)/c(=C/c3nc[nH]c3C(C)(C)C)[nH]c2=O)c(OC)c1.
What is the InChIKey of (3Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[2-(2,4-dimethoxyphenyl)ethylidene]piperazine-2,5-dione?
The InChIKey is PWBOMOMBOIKLPM-RNWZVKJTSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-22(2,3)19-16(23-12-24-19)11-17-21(28)25-15(20(27)26-17)9-7-13-6-8-14(29-4)10-18(13)30-5/h6,8-12H,7H2,1-5H3,(H,23,24)(H,25,28)(H,26,27)/b15-9?,17-11-.
What are the key properties of (3Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[2-(2,4-dimethoxyphenyl)ethylidene]piperazine-2,5-dione?
(3Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[2-(2,4-dimethoxyphenyl)ethylidene]piperazine-2,5-dione has a molecular weight of 410.47 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[2-(2,4-dimethoxyphenyl)ethylidene]piperazine-2,5-dione is sourced from PubChem (CID 142908337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).