5-[[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C19H17N3O4S — CID 21137753

IUPAC5-[[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(O)cc21
InChIInChI=1S/C19H17N3O4S/c1-22-15-9-12(23)4-7-14(15)20-17(22)10-26-13-5-2-11(3-6-13)8-16-18(24)21-19(25)27-16/h2-7,9,16,23H,8,10H2,1H3,(H,21,24,25)
InChIKeyOIEQYSVXVNGAOF-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.75
Rot. Bonds5

About 5-[[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 21137753) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 5-[[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID21137753
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name5-[[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(O)cc21
InChIInChI=1S/C19H17N3O4S/c1-22-15-9-12(23)4-7-14(15)20-17(22)10-26-13-5-2-11(3-6-13)8-16-18(24)21-19(25)27-16/h2-7,9,16,23H,8,10H2,1H3,(H,21,24,25)
InChIKeyOIEQYSVXVNGAOF-UHFFFAOYSA-N
XLogP2.75
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 21137753) is 5-[[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(O)cc21.
What is the InChIKey of 5-[[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is OIEQYSVXVNGAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-22-15-9-12(23)4-7-14(15)20-17(22)10-26-13-5-2-11(3-6-13)8-16-18(24)21-19(25)27-16/h2-7,9,16,23H,8,10H2,1H3,(H,21,24,25).
What are the key properties of 5-[[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 383.43 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 21137753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).