methyl 2-[4-hydroxy-3-(2-methoxycarbonylphenyl)sulfanyl-2-oxoimidazol-1-yl]sulfanylbenzoate

C19H16N2O6S2 — CID 54385675

IUPACmethyl 2-[4-hydroxy-3-(2-methoxycarbonylphenyl)sulfanyl-2-oxoimidazol-1-yl]sulfanylbenzoate
SMILESCOC(=O)c1ccccc1Sn1cc(O)n(Sc2ccccc2C(=O)OC)c1=O
InChIInChI=1S/C19H16N2O6S2/c1-26-17(23)12-7-3-5-9-14(12)28-20-11-16(22)21(19(20)25)29-15-10-6-4-8-13(15)18(24)27-2/h3-11,22H,1-2H3
InChIKeyVDBMITQQEMDKQS-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.04
Rot. Bonds6

About methyl 2-[4-hydroxy-3-(2-methoxycarbonylphenyl)sulfanyl-2-oxoimidazol-1-yl]sulfanylbenzoate

methyl 2-[4-hydroxy-3-(2-methoxycarbonylphenyl)sulfanyl-2-oxoimidazol-1-yl]sulfanylbenzoate (PubChem CID 54385675) has the molecular formula C19H16N2O6S2 and a molecular weight of 432.48 g/mol. Its IUPAC name is methyl 2-[4-hydroxy-3-(2-methoxycarbonylphenyl)sulfanyl-2-oxoimidazol-1-yl]sulfanylbenzoate.

Molecular Properties

Compound Namemethyl 2-[4-hydroxy-3-(2-methoxycarbonylphenyl)sulfanyl-2-oxoimidazol-1-yl]sulfanylbenzoate
PubChem CID54385675
Molecular FormulaC19H16N2O6S2
Molecular Weight432.48 g/mol
Exact Mass432.04
IUPAC Namemethyl 2-[4-hydroxy-3-(2-methoxycarbonylphenyl)sulfanyl-2-oxoimidazol-1-yl]sulfanylbenzoate
SMILESCOC(=O)c1ccccc1Sn1cc(O)n(Sc2ccccc2C(=O)OC)c1=O
InChIInChI=1S/C19H16N2O6S2/c1-26-17(23)12-7-3-5-9-14(12)28-20-11-16(22)21(19(20)25)29-15-10-6-4-8-13(15)18(24)27-2/h3-11,22H,1-2H3
InChIKeyVDBMITQQEMDKQS-UHFFFAOYSA-N
XLogP3.04
TPSA99.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl 2-[4-hydroxy-3-(2-methoxycarbonylphenyl)sulfanyl-2-oxoimidazol-1-yl]sulfanylbenzoate 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

methyl 2-(dimethylcarbamoylsulfanyl)benzoate
CID 21014334
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-[4-(2-methoxycarbonylphenyl)sulfanylbutylsulfanyl]benzoate
CID 139077715
methyl 2-(2-methylpropanoylsulfanyl)benzoate
CID 101020581
methyl 2-(3-methylbutylsulfanyl)benzoate
CID 91715638
methyl 2-(ethyldisulfanyl)benzoate
CID 86221327
methyl 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzoate
CID 138109724
methyl 2-(diethylaminosulfanyl)benzoate
CID 101151358
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756
lithium;hydride;methyl 2-hydroxybenzoate
CID 173284844
methyl 2-(2,4-diaminophenyl)sulfanylbenzoate
CID 5298639

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-hydroxy-3-(2-methoxycarbonylphenyl)sulfanyl-2-oxoimidazol-1-yl]sulfanylbenzoate?
The IUPAC name of methyl 2-[4-hydroxy-3-(2-methoxycarbonylphenyl)sulfanyl-2-oxoimidazol-1-yl]sulfanylbenzoate (CID 54385675) is methyl 2-[4-hydroxy-3-(2-methoxycarbonylphenyl)sulfanyl-2-oxoimidazol-1-yl]sulfanylbenzoate.
What is the SMILES notation for methyl 2-[4-hydroxy-3-(2-methoxycarbonylphenyl)sulfanyl-2-oxoimidazol-1-yl]sulfanylbenzoate?
The canonical SMILES for methyl 2-[4-hydroxy-3-(2-methoxycarbonylphenyl)sulfanyl-2-oxoimidazol-1-yl]sulfanylbenzoate is COC(=O)c1ccccc1Sn1cc(O)n(Sc2ccccc2C(=O)OC)c1=O.
What is the InChIKey of methyl 2-[4-hydroxy-3-(2-methoxycarbonylphenyl)sulfanyl-2-oxoimidazol-1-yl]sulfanylbenzoate?
The InChIKey is VDBMITQQEMDKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O6S2/c1-26-17(23)12-7-3-5-9-14(12)28-20-11-16(22)21(19(20)25)29-15-10-6-4-8-13(15)18(24)27-2/h3-11,22H,1-2H3.
What are the key properties of methyl 2-[4-hydroxy-3-(2-methoxycarbonylphenyl)sulfanyl-2-oxoimidazol-1-yl]sulfanylbenzoate?
methyl 2-[4-hydroxy-3-(2-methoxycarbonylphenyl)sulfanyl-2-oxoimidazol-1-yl]sulfanylbenzoate has a molecular weight of 432.48 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-hydroxy-3-(2-methoxycarbonylphenyl)sulfanyl-2-oxoimidazol-1-yl]sulfanylbenzoate is sourced from PubChem (CID 54385675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).