4-(benzimidazol-1-yl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]benzamide

C23H20N4O4S — CID 55932965

IUPAC4-(benzimidazol-1-yl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]benzamide
SMILESO=C(Nc1cc(N2CCCS2(=O)=O)ccc1O)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C23H20N4O4S/c28-22-11-10-18(27-12-3-13-32(27,30)31)14-20(22)25-23(29)16-6-8-17(9-7-16)26-15-24-19-4-1-2-5-21(19)26/h1-2,4-11,14-15,28H,3,12-13H2,(H,25,29)
InChIKeyWEXNVOKPBMKBHW-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.52
Rot. Bonds4

About 4-(benzimidazol-1-yl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]benzamide

4-(benzimidazol-1-yl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]benzamide (PubChem CID 55932965) has the molecular formula C23H20N4O4S and a molecular weight of 448.50 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]benzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]benzamide
PubChem CID55932965
Molecular FormulaC23H20N4O4S
Molecular Weight448.50 g/mol
Exact Mass448.12
IUPAC Name4-(benzimidazol-1-yl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]benzamide
SMILESO=C(Nc1cc(N2CCCS2(=O)=O)ccc1O)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C23H20N4O4S/c28-22-11-10-18(27-12-3-13-32(27,30)31)14-20(22)25-23(29)16-6-8-17(9-7-16)26-15-24-19-4-1-2-5-21(19)26/h1-2,4-11,14-15,28H,3,12-13H2,(H,25,29)
InChIKeyWEXNVOKPBMKBHW-UHFFFAOYSA-N
XLogP3.52
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]benzamide?
The IUPAC name of 4-(benzimidazol-1-yl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]benzamide (CID 55932965) is 4-(benzimidazol-1-yl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]benzamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]benzamide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]benzamide is O=C(Nc1cc(N2CCCS2(=O)=O)ccc1O)c1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]benzamide?
The InChIKey is WEXNVOKPBMKBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4S/c28-22-11-10-18(27-12-3-13-32(27,30)31)14-20(22)25-23(29)16-6-8-17(9-7-16)26-15-24-19-4-1-2-5-21(19)26/h1-2,4-11,14-15,28H,3,12-13H2,(H,25,29).
What are the key properties of 4-(benzimidazol-1-yl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]benzamide?
4-(benzimidazol-1-yl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]benzamide has a molecular weight of 448.50 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]benzamide is sourced from PubChem (CID 55932965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).