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

C18H15N3O4S — CID 118753140

IUPAC5-[[4-[(6-hydroxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(OCc3nc4ccc(O)cc4[nH]3)cc2)S1
InChIInChI=1S/C18H15N3O4S/c22-11-3-6-13-14(8-11)20-16(19-13)9-25-12-4-1-10(2-5-12)7-15-17(23)21-18(24)26-15/h1-6,8,15,22H,7,9H2,(H,19,20)(H,21,23,24)
InChIKeyFYCNMUUDXCHKNR-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.74
Rot. Bonds5

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

5-[[4-[(6-hydroxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 118753140) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is 5-[[4-[(6-hydroxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[(6-hydroxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID118753140
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name5-[[4-[(6-hydroxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(OCc3nc4ccc(O)cc4[nH]3)cc2)S1
InChIInChI=1S/C18H15N3O4S/c22-11-3-6-13-14(8-11)20-16(19-13)9-25-12-4-1-10(2-5-12)7-15-17(23)21-18(24)26-15/h1-6,8,15,22H,7,9H2,(H,19,20)(H,21,23,24)
InChIKeyFYCNMUUDXCHKNR-UHFFFAOYSA-N
XLogP2.74
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.74
H-Bond Donors ≤ 53
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-hydroxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[(6-hydroxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 118753140) is 5-[[4-[(6-hydroxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[(6-hydroxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[(6-hydroxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Cc2ccc(OCc3nc4ccc(O)cc4[nH]3)cc2)S1.
What is the InChIKey of 5-[[4-[(6-hydroxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is FYCNMUUDXCHKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c22-11-3-6-13-14(8-11)20-16(19-13)9-25-12-4-1-10(2-5-12)7-15-17(23)21-18(24)26-15/h1-6,8,15,22H,7,9H2,(H,19,20)(H,21,23,24).
What are the key properties of 5-[[4-[(6-hydroxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[(6-hydroxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 369.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(6-hydroxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 118753140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).