2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

C23H20N4O2S — CID 135473346

IUPAC2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccccc1O
InChIInChI=1S/C23H20N4O2S/c28-21-13-7-4-10-18(21)14-24-26-22(29)16-30-23-25-19-11-5-6-12-20(19)27(23)15-17-8-2-1-3-9-17/h1-14,28H,15-16H2,(H,26,29)/b24-14+
InChIKeyQYWPIEGNAPREKQ-ZVHZXABRSA-N
MW416.51 g/mol
LogP4.03
Rot. Bonds7

About 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135473346) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135473346
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccccc1O
InChIInChI=1S/C23H20N4O2S/c28-21-13-7-4-10-18(21)14-24-26-22(29)16-30-23-25-19-11-5-6-12-20(19)27(23)15-17-8-2-1-3-9-17/h1-14,28H,15-16H2,(H,26,29)/b24-14+
InChIKeyQYWPIEGNAPREKQ-ZVHZXABRSA-N
XLogP4.03
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 135473346) is 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccccc1O.
What is the InChIKey of 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is QYWPIEGNAPREKQ-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H20N4O2S/c28-21-13-7-4-10-18(21)14-24-26-22(29)16-30-23-25-19-11-5-6-12-20(19)27(23)15-17-8-2-1-3-9-17/h1-14,28H,15-16H2,(H,26,29)/b24-14+.
What are the key properties of 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 416.51 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135473346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).