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

C21H24N4O3 — CID 58459662

IUPAC(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]piperazine-2,5-dione
SMILESCOc1cccc(C)c1/C=c1\[nH]c(=O)/c(=C/c2nc[nH]c2C(C)(C)C)[nH]c1=O
InChIInChI=1S/C21H24N4O3/c1-12-7-6-8-17(28-5)13(12)9-15-19(26)25-16(20(27)24-15)10-14-18(21(2,3)4)23-11-22-14/h6-11H,1-5H3,(H,22,23)(H,24,27)(H,25,26)/b15-9-,16-10-
InChIKeyDQZOPNDMRFZETC-VULZFCBJSA-N
MW380.45 g/mol
LogP1.06
Rot. Bonds3

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

(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]piperazine-2,5-dione (PubChem CID 58459662) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]piperazine-2,5-dione
PubChem CID58459662
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]piperazine-2,5-dione
SMILESCOc1cccc(C)c1/C=c1\[nH]c(=O)/c(=C/c2nc[nH]c2C(C)(C)C)[nH]c1=O
InChIInChI=1S/C21H24N4O3/c1-12-7-6-8-17(28-5)13(12)9-15-19(26)25-16(20(27)24-15)10-14-18(21(2,3)4)23-11-22-14/h6-11H,1-5H3,(H,22,23)(H,24,27)(H,25,26)/b15-9-,16-10-
InChIKeyDQZOPNDMRFZETC-VULZFCBJSA-N
XLogP1.06
TPSA103.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(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-[(2,5-dimethoxyphenyl)methylidene]piperazine-2,5-dione
CID 16068657
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(2,4-dimethoxyphenyl)methylidene]piperazine-2,5-dione
CID 16068754
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(3,4-dimethoxyphenyl)methylidene]piperazine-2,5-dione
CID 16068755
(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-[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione
CID 16069079
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[[3-(4-methoxybenzoyl)phenyl]methylidene]piperazine-2,5-dione
CID 53307103
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[[3-(3-methoxybenzoyl)phenyl]methylidene]piperazine-2,5-dione
CID 53307104
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[[3-(2-methoxybenzoyl)phenyl]methylidene]piperazine-2,5-dione
CID 53307105
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[[3-(2,3-dimethoxybenzoyl)phenyl]methylidene]piperazine-2,5-dione
CID 53308240
(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

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]piperazine-2,5-dione?
The IUPAC name of (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]piperazine-2,5-dione (CID 58459662) is (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]piperazine-2,5-dione.
What is the SMILES notation for (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]piperazine-2,5-dione?
The canonical SMILES for (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]piperazine-2,5-dione is COc1cccc(C)c1/C=c1\[nH]c(=O)/c(=C/c2nc[nH]c2C(C)(C)C)[nH]c1=O.
What is the InChIKey of (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]piperazine-2,5-dione?
The InChIKey is DQZOPNDMRFZETC-VULZFCBJSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-12-7-6-8-17(28-5)13(12)9-15-19(26)25-16(20(27)24-15)10-14-18(21(2,3)4)23-11-22-14/h6-11H,1-5H3,(H,22,23)(H,24,27)(H,25,26)/b15-9-,16-10-.
What are the key properties of (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]piperazine-2,5-dione?
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]piperazine-2,5-dione has a molecular weight of 380.45 g/mol, XLogP of 1.06, 3 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-[(2-methoxy-6-methylphenyl)methylidene]piperazine-2,5-dione is sourced from PubChem (CID 58459662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).