2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide

C21H18N4O2S — CID 5344473

IUPAC2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide
SMILESO=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccco1
InChIInChI=1S/C21H18N4O2S/c26-20(24-22-13-17-9-6-12-27-17)15-28-21-23-18-10-4-5-11-19(18)25(21)14-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,24,26)/b22-13+
InChIKeyGDZNGVJTVIEIDQ-LPYMAVHISA-N
MW390.47 g/mol
LogP3.92
Rot. Bonds7

About 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide

2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide (PubChem CID 5344473) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide
PubChem CID5344473
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide
SMILESO=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccco1
InChIInChI=1S/C21H18N4O2S/c26-20(24-22-13-17-9-6-12-27-17)15-28-21-23-18-10-4-5-11-19(18)25(21)14-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,24,26)/b22-13+
InChIKeyGDZNGVJTVIEIDQ-LPYMAVHISA-N
XLogP3.92
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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)-furan-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide (CID 5344473) is 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide is O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1ccco1.
What is the InChIKey of 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide?
The InChIKey is GDZNGVJTVIEIDQ-LPYMAVHISA-N. The full InChI is InChI=1S/C21H18N4O2S/c26-20(24-22-13-17-9-6-12-27-17)15-28-21-23-18-10-4-5-11-19(18)25(21)14-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,24,26)/b22-13+.
What are the key properties of 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide?
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide has a molecular weight of 390.47 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 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)-furan-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 5344473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).