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

C19H17N3O4S — CID 12074181

IUPAC5-[[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc2nc(COc3ccc(CC4SC(=O)NC4=O)cc3)[nH]c2c1
InChIInChI=1S/C19H17N3O4S/c1-25-13-6-7-14-15(9-13)21-17(20-14)10-26-12-4-2-11(3-5-12)8-16-18(23)22-19(24)27-16/h2-7,9,16H,8,10H2,1H3,(H,20,21)(H,22,23,24)
InChIKeyCUADXVBMFGPUEU-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.04
Rot. Bonds6

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

5-[[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 12074181) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 5-[[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID12074181
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name5-[[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc2nc(COc3ccc(CC4SC(=O)NC4=O)cc3)[nH]c2c1
InChIInChI=1S/C19H17N3O4S/c1-25-13-6-7-14-15(9-13)21-17(20-14)10-26-12-4-2-11(3-5-12)8-16-18(23)22-19(24)27-16/h2-7,9,16H,8,10H2,1H3,(H,20,21)(H,22,23,24)
InChIKeyCUADXVBMFGPUEU-UHFFFAOYSA-N
XLogP3.04
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 12074181) is 5-[[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is COc1ccc2nc(COc3ccc(CC4SC(=O)NC4=O)cc3)[nH]c2c1.
What is the InChIKey of 5-[[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is CUADXVBMFGPUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-25-13-6-7-14-15(9-13)21-17(20-14)10-26-12-4-2-11(3-5-12)8-16-18(23)22-19(24)27-16/h2-7,9,16H,8,10H2,1H3,(H,20,21)(H,22,23,24).
What are the key properties of 5-[[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 383.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 12074181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).