5-[[4-[[6-[(6-hydroxy-4-methoxyimino-2,5,7,8-tetramethyl-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C34H36N4O7S — CID 139846145

IUPAC5-[[4-[[6-[(6-hydroxy-4-methoxyimino-2,5,7,8-tetramethyl-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCON=C1CC(C)(COc2ccc3nc(COc4ccc(CC5SC(=O)NC5=O)cc4)n(C)c3c2)Oc2c(C)c(C)c(O)c(C)c21
InChIInChI=1S/C34H36N4O7S/c1-18-19(2)31-29(20(3)30(18)39)25(37-42-6)15-34(4,45-31)17-44-23-11-12-24-26(14-23)38(5)28(35-24)16-43-22-9-7-21(8-10-22)13-27-32(40)36-33(41)46-27/h7-12,14,27,39H,13,15-17H2,1-6H3,(H,36,40,41)
InChIKeyHNFRTVPEPDXVCI-UHFFFAOYSA-N
MW644.75 g/mol
LogP5.65
Rot. Bonds9

About 5-[[4-[[6-[(6-hydroxy-4-methoxyimino-2,5,7,8-tetramethyl-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[[6-[(6-hydroxy-4-methoxyimino-2,5,7,8-tetramethyl-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 139846145) has the molecular formula C34H36N4O7S and a molecular weight of 644.75 g/mol. Its IUPAC name is 5-[[4-[[6-[(6-hydroxy-4-methoxyimino-2,5,7,8-tetramethyl-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[[6-[(6-hydroxy-4-methoxyimino-2,5,7,8-tetramethyl-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID139846145
Molecular FormulaC34H36N4O7S
Molecular Weight644.75 g/mol
Exact Mass644.23
IUPAC Name5-[[4-[[6-[(6-hydroxy-4-methoxyimino-2,5,7,8-tetramethyl-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCON=C1CC(C)(COc2ccc3nc(COc4ccc(CC5SC(=O)NC5=O)cc4)n(C)c3c2)Oc2c(C)c(C)c(O)c(C)c21
InChIInChI=1S/C34H36N4O7S/c1-18-19(2)31-29(20(3)30(18)39)25(37-42-6)15-34(4,45-31)17-44-23-11-12-24-26(14-23)38(5)28(35-24)16-43-22-9-7-21(8-10-22)13-27-32(40)36-33(41)46-27/h7-12,14,27,39H,13,15-17H2,1-6H3,(H,36,40,41)
InChIKeyHNFRTVPEPDXVCI-UHFFFAOYSA-N
XLogP5.65
TPSA133.50 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500644.75
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 5-[[4-[[6-[(6-hydroxy-4-methoxyimino-2,5,7,8-tetramethyl-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

Efatutazone
CID 9832447
Rivoglitazone
CID 3055168
Rivoglitazone hydrochloride
CID 9889104
Efatutazone Dihydrochloride
CID 16719220
5-[[4-[[6-(3-Tert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 86758441
2,4-Thiazolidinedione, 5-((4-((1-methyl-6-(sulfooxy)-1H-benzimidazol-2-yl)methoxy)phenyl)methyl)-
CID 9890581
3-[4-[(6-Hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide
CID 21137740
O-Demethyl rivoglitazone
CID 21137753
2,4-Thiazolidinedione, 5-hydroxy-5-((4-((6-methoxy-1-methyl-1H-benzimidazol-2-yl)methoxy)phenyl)methyl)-
CID 118753052
(5S)-5-[[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 76964199
Efatutazone dihydrochloride monohydrate
CID 25009213
5-[[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]-(514C)1,3-thiazolidine-2,4-dione
CID 118753186

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[6-[(6-hydroxy-4-methoxyimino-2,5,7,8-tetramethyl-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[[6-[(6-hydroxy-4-methoxyimino-2,5,7,8-tetramethyl-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 139846145) is 5-[[4-[[6-[(6-hydroxy-4-methoxyimino-2,5,7,8-tetramethyl-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[[6-[(6-hydroxy-4-methoxyimino-2,5,7,8-tetramethyl-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[[6-[(6-hydroxy-4-methoxyimino-2,5,7,8-tetramethyl-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is CON=C1CC(C)(COc2ccc3nc(COc4ccc(CC5SC(=O)NC5=O)cc4)n(C)c3c2)Oc2c(C)c(C)c(O)c(C)c21.
What is the InChIKey of 5-[[4-[[6-[(6-hydroxy-4-methoxyimino-2,5,7,8-tetramethyl-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is HNFRTVPEPDXVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N4O7S/c1-18-19(2)31-29(20(3)30(18)39)25(37-42-6)15-34(4,45-31)17-44-23-11-12-24-26(14-23)38(5)28(35-24)16-43-22-9-7-21(8-10-22)13-27-32(40)36-33(41)46-27/h7-12,14,27,39H,13,15-17H2,1-6H3,(H,36,40,41).
What are the key properties of 5-[[4-[[6-[(6-hydroxy-4-methoxyimino-2,5,7,8-tetramethyl-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[[6-[(6-hydroxy-4-methoxyimino-2,5,7,8-tetramethyl-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 644.75 g/mol, XLogP of 5.65, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[[6-[(6-hydroxy-4-methoxyimino-2,5,7,8-tetramethyl-3H-chromen-2-yl)methoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 139846145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).