(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one

C28H25N3O3S — CID 5472066

IUPAC(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one
SMILESCCCSc1ccc2[nH]c(N3C(=O)/C(=C/c4ccc(O)c(OC)c4)N=C3c3ccccc3)cc2c1
InChIInChI=1S/C28H25N3O3S/c1-3-13-35-21-10-11-22-20(16-21)17-26(29-22)31-27(19-7-5-4-6-8-19)30-23(28(31)33)14-18-9-12-24(32)25(15-18)34-2/h4-12,14-17,29,32H,3,13H2,1-2H3/b23-14-
InChIKeyRSKSGANXKWNKJD-UCQKPKSFSA-N
MW483.59 g/mol
LogP6.22
Rot. Bonds7

About (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one

(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one (PubChem CID 5472066) has the molecular formula C28H25N3O3S and a molecular weight of 483.59 g/mol. Its IUPAC name is (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one
PubChem CID5472066
Molecular FormulaC28H25N3O3S
Molecular Weight483.59 g/mol
Exact Mass483.16
IUPAC Name(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one
SMILESCCCSc1ccc2[nH]c(N3C(=O)/C(=C/c4ccc(O)c(OC)c4)N=C3c3ccccc3)cc2c1
InChIInChI=1S/C28H25N3O3S/c1-3-13-35-21-10-11-22-20(16-21)17-26(29-22)31-27(19-7-5-4-6-8-19)30-23(28(31)33)14-18-9-12-24(32)25(15-18)34-2/h4-12,14-17,29,32H,3,13H2,1-2H3/b23-14-
InChIKeyRSKSGANXKWNKJD-UCQKPKSFSA-N
XLogP6.22
TPSA77.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.59
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)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

(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one
CID 1273952
5-[(3,4-diethoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-phenylimidazol-4-one
CID 3709387
2-phenyl-3-(5-phenylsulfanyl-1H-benzimidazol-2-yl)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one
CID 135512091
4-[4-[(3,4-dimethoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzoic acid
CID 3681343
(5Z)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenylimidazol-4-one
CID 6513053
(4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 6199787
4-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 1275177
N-[4-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-N-methylacetamide
CID 1274962
5-[(3,4-dimethoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-(4-methoxyphenyl)imidazol-4-one
CID 1371884
methyl 2-[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-4,5-dimethoxybenzoate
CID 102236152
2-[(4E)-4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137205917
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-(3-methylphenyl)imidazol-4-one
CID 5348654

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one?
The IUPAC name of (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one (CID 5472066) is (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one.
What is the SMILES notation for (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one?
The canonical SMILES for (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one is CCCSc1ccc2[nH]c(N3C(=O)/C(=C/c4ccc(O)c(OC)c4)N=C3c3ccccc3)cc2c1.
What is the InChIKey of (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one?
The InChIKey is RSKSGANXKWNKJD-UCQKPKSFSA-N. The full InChI is InChI=1S/C28H25N3O3S/c1-3-13-35-21-10-11-22-20(16-21)17-26(29-22)31-27(19-7-5-4-6-8-19)30-23(28(31)33)14-18-9-12-24(32)25(15-18)34-2/h4-12,14-17,29,32H,3,13H2,1-2H3/b23-14-.
What are the key properties of (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one?
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one has a molecular weight of 483.59 g/mol, XLogP of 6.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one is sourced from PubChem (CID 5472066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).