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

C27H26N4O4 — CID 53307105

IUPAC(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[[3-(2-methoxybenzoyl)phenyl]methylidene]piperazine-2,5-dione
SMILESCOc1ccccc1C(=O)c1cccc(/C=c2\[nH]c(=O)/c(=C/c3nc[nH]c3C(C)(C)C)[nH]c2=O)c1
InChIInChI=1S/C27H26N4O4/c1-27(2,3)24-19(28-15-29-24)14-21-26(34)30-20(25(33)31-21)13-16-8-7-9-17(12-16)23(32)18-10-5-6-11-22(18)35-4/h5-15H,1-4H3,(H,28,29)(H,30,34)(H,31,33)/b20-13-,21-14-
InChIKeyVDEHYCNNNDKYTL-NMGXZBPKSA-N
MW470.53 g/mol
LogP1.98
Rot. Bonds5

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

(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[[3-(2-methoxybenzoyl)phenyl]methylidene]piperazine-2,5-dione (PubChem CID 53307105) has the molecular formula C27H26N4O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[[3-(2-methoxybenzoyl)phenyl]methylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[[3-(2-methoxybenzoyl)phenyl]methylidene]piperazine-2,5-dione
PubChem CID53307105
Molecular FormulaC27H26N4O4
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC Name(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[[3-(2-methoxybenzoyl)phenyl]methylidene]piperazine-2,5-dione
SMILESCOc1ccccc1C(=O)c1cccc(/C=c2\[nH]c(=O)/c(=C/c3nc[nH]c3C(C)(C)C)[nH]c2=O)c1
InChIInChI=1S/C27H26N4O4/c1-27(2,3)24-19(28-15-29-24)14-21-26(34)30-20(25(33)31-21)13-16-8-7-9-17(12-16)23(32)18-10-5-6-11-22(18)35-4/h5-15H,1-4H3,(H,28,29)(H,30,34)(H,31,33)/b20-13-,21-14-
InChIKeyVDEHYCNNNDKYTL-NMGXZBPKSA-N
XLogP1.98
TPSA120.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[[3-(2-methoxybenzoyl)phenyl]methylidene]piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[2-(4-Butyryl-4-phenyl-piperidin-1-yl)-1-(4-methoxy-benzyl)-2-oxo-ethylcarbamoyl]-2-(1H-imidazol-4-yl)-ethyl]-benzamide
CID 44269217
2-Amino-N-[2-(4-butyryl-4-phenyl-piperidin-1-yl)-1-(4-methoxy-benzyl)-2-oxo-ethyl]-3-(1H-imidazol-4-yl)-propionamide
CID 11763303
(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-ethoxyphenyl)methylidene]piperazine-2,5-dione
CID 16068978
(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-(2,3-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
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(2,3-dimethoxyphenyl)methylidene]piperazine-2,5-dione
CID 56955157

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[[3-(2-methoxybenzoyl)phenyl]methylidene]piperazine-2,5-dione?
The IUPAC name of (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[[3-(2-methoxybenzoyl)phenyl]methylidene]piperazine-2,5-dione (CID 53307105) is (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[[3-(2-methoxybenzoyl)phenyl]methylidene]piperazine-2,5-dione.
What is the SMILES notation for (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[[3-(2-methoxybenzoyl)phenyl]methylidene]piperazine-2,5-dione?
The canonical SMILES for (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[[3-(2-methoxybenzoyl)phenyl]methylidene]piperazine-2,5-dione is COc1ccccc1C(=O)c1cccc(/C=c2\[nH]c(=O)/c(=C/c3nc[nH]c3C(C)(C)C)[nH]c2=O)c1.
What is the InChIKey of (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[[3-(2-methoxybenzoyl)phenyl]methylidene]piperazine-2,5-dione?
The InChIKey is VDEHYCNNNDKYTL-NMGXZBPKSA-N. The full InChI is InChI=1S/C27H26N4O4/c1-27(2,3)24-19(28-15-29-24)14-21-26(34)30-20(25(33)31-21)13-16-8-7-9-17(12-16)23(32)18-10-5-6-11-22(18)35-4/h5-15H,1-4H3,(H,28,29)(H,30,34)(H,31,33)/b20-13-,21-14-.
What are the key properties of (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[[3-(2-methoxybenzoyl)phenyl]methylidene]piperazine-2,5-dione?
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[[3-(2-methoxybenzoyl)phenyl]methylidene]piperazine-2,5-dione has a molecular weight of 470.53 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[[3-(2-methoxybenzoyl)phenyl]methylidene]piperazine-2,5-dione is sourced from PubChem (CID 53307105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).