(5Z)-3-butyl-2-[4-[(4Z)-1-butyl-5-oxo-4-[(4-phenylmethoxyphenyl)methylidene]imidazol-2-yl]piperazin-1-yl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazol-4-one

C46H50N6O4 — CID 71540482

IUPAC(5Z)-3-butyl-2-[4-[(4Z)-1-butyl-5-oxo-4-[(4-phenylmethoxyphenyl)methylidene]imidazol-2-yl]piperazin-1-yl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazol-4-one
SMILESCCCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)N=C1N1CCN(C2=N/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)N2CCCC)CC1
InChIInChI=1S/C46H50N6O4/c1-3-5-25-51-43(53)41(31-35-17-21-39(22-18-35)55-33-37-13-9-7-10-14-37)47-45(51)49-27-29-50(30-28-49)46-48-42(44(54)52(46)26-6-4-2)32-36-19-23-40(24-20-36)56-34-38-15-11-8-12-16-38/h7-24,31-32H,3-6,25-30,33-34H2,1-2H3/b41-31-,42-32-
InChIKeyWSGJWHNNYMTJJC-CMRZERMZSA-N
MW750.94 g/mol
LogP7.84
Rot. Bonds14

About (5Z)-3-butyl-2-[4-[(4Z)-1-butyl-5-oxo-4-[(4-phenylmethoxyphenyl)methylidene]imidazol-2-yl]piperazin-1-yl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazol-4-one

(5Z)-3-butyl-2-[4-[(4Z)-1-butyl-5-oxo-4-[(4-phenylmethoxyphenyl)methylidene]imidazol-2-yl]piperazin-1-yl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazol-4-one (PubChem CID 71540482) has the molecular formula C46H50N6O4 and a molecular weight of 750.94 g/mol. Its IUPAC name is (5Z)-3-butyl-2-[4-[(4Z)-1-butyl-5-oxo-4-[(4-phenylmethoxyphenyl)methylidene]imidazol-2-yl]piperazin-1-yl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazol-4-one.

Molecular Properties

Compound Name(5Z)-3-butyl-2-[4-[(4Z)-1-butyl-5-oxo-4-[(4-phenylmethoxyphenyl)methylidene]imidazol-2-yl]piperazin-1-yl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazol-4-one
PubChem CID71540482
Molecular FormulaC46H50N6O4
Molecular Weight750.94 g/mol
Exact Mass750.39
IUPAC Name(5Z)-3-butyl-2-[4-[(4Z)-1-butyl-5-oxo-4-[(4-phenylmethoxyphenyl)methylidene]imidazol-2-yl]piperazin-1-yl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazol-4-one
SMILESCCCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)N=C1N1CCN(C2=N/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)N2CCCC)CC1
InChIInChI=1S/C46H50N6O4/c1-3-5-25-51-43(53)41(31-35-17-21-39(22-18-35)55-33-37-13-9-7-10-14-37)47-45(51)49-27-29-50(30-28-49)46-48-42(44(54)52(46)26-6-4-2)32-36-19-23-40(24-20-36)56-34-38-15-11-8-12-16-38/h7-24,31-32H,3-6,25-30,33-34H2,1-2H3/b41-31-,42-32-
InChIKeyWSGJWHNNYMTJJC-CMRZERMZSA-N
XLogP7.84
TPSA90.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.94
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-3-butyl-2-[4-[(4Z)-1-butyl-5-oxo-4-[(4-phenylmethoxyphenyl)methylidene]imidazol-2-yl]piperazin-1-yl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazol-4-one 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

3-butyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2928050
(5E)-2-methyl-5-[(4-phenylmethoxyphenyl)methylidene]-3H-pyrrol-4-one
CID 6508826
(5Z)-5-[(4-phenylmethoxyphenyl)methylidene]-3-propyl-1,3-thiazolidine-2,4-dione
CID 118327097
(5Z)-2-(4-methylpiperazin-1-yl)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 2000831
2-(4-decoxyphenyl)-4-[(4-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4608824
5-[(4-phenylmethoxyphenyl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one
CID 4167282
1,3-dimethyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2261786
(4Z)-4-[(4-phenylmethoxyphenyl)methylidene]-2-propylsulfanyl-1,3-thiazol-5-one
CID 2181241
(5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one
CID 102017980
2-(4-butoxyphenyl)-3-[2-[2-(4-butoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazol-1-yl]ethyl]-5-[(4-methoxyphenyl)methylidene]imidazol-4-one
CID 4874677
(4Z)-4-[(4-phenylmethoxyphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665278
3-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydro-1,2,4-triazin-6-one
CID 2817102

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-butyl-2-[4-[(4Z)-1-butyl-5-oxo-4-[(4-phenylmethoxyphenyl)methylidene]imidazol-2-yl]piperazin-1-yl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazol-4-one?
The IUPAC name of (5Z)-3-butyl-2-[4-[(4Z)-1-butyl-5-oxo-4-[(4-phenylmethoxyphenyl)methylidene]imidazol-2-yl]piperazin-1-yl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazol-4-one (CID 71540482) is (5Z)-3-butyl-2-[4-[(4Z)-1-butyl-5-oxo-4-[(4-phenylmethoxyphenyl)methylidene]imidazol-2-yl]piperazin-1-yl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazol-4-one.
What is the SMILES notation for (5Z)-3-butyl-2-[4-[(4Z)-1-butyl-5-oxo-4-[(4-phenylmethoxyphenyl)methylidene]imidazol-2-yl]piperazin-1-yl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazol-4-one?
The canonical SMILES for (5Z)-3-butyl-2-[4-[(4Z)-1-butyl-5-oxo-4-[(4-phenylmethoxyphenyl)methylidene]imidazol-2-yl]piperazin-1-yl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazol-4-one is CCCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)N=C1N1CCN(C2=N/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)N2CCCC)CC1.
What is the InChIKey of (5Z)-3-butyl-2-[4-[(4Z)-1-butyl-5-oxo-4-[(4-phenylmethoxyphenyl)methylidene]imidazol-2-yl]piperazin-1-yl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazol-4-one?
The InChIKey is WSGJWHNNYMTJJC-CMRZERMZSA-N. The full InChI is InChI=1S/C46H50N6O4/c1-3-5-25-51-43(53)41(31-35-17-21-39(22-18-35)55-33-37-13-9-7-10-14-37)47-45(51)49-27-29-50(30-28-49)46-48-42(44(54)52(46)26-6-4-2)32-36-19-23-40(24-20-36)56-34-38-15-11-8-12-16-38/h7-24,31-32H,3-6,25-30,33-34H2,1-2H3/b41-31-,42-32-.
What are the key properties of (5Z)-3-butyl-2-[4-[(4Z)-1-butyl-5-oxo-4-[(4-phenylmethoxyphenyl)methylidene]imidazol-2-yl]piperazin-1-yl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazol-4-one?
(5Z)-3-butyl-2-[4-[(4Z)-1-butyl-5-oxo-4-[(4-phenylmethoxyphenyl)methylidene]imidazol-2-yl]piperazin-1-yl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazol-4-one has a molecular weight of 750.94 g/mol, XLogP of 7.84, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-butyl-2-[4-[(4Z)-1-butyl-5-oxo-4-[(4-phenylmethoxyphenyl)methylidene]imidazol-2-yl]piperazin-1-yl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazol-4-one is sourced from PubChem (CID 71540482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).