2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide

C15H14N4O2S — CID 5342643

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide
SMILESCc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)o1
InChIInChI=1S/C15H14N4O2S/c1-10-6-7-11(21-10)8-16-19-14(20)9-22-15-17-12-4-2-3-5-13(12)18-15/h2-8H,9H2,1H3,(H,17,18)(H,19,20)/b16-8+
InChIKeyROSDYSJLBNSVPP-LZYBPNLTSA-N
MW314.37 g/mol
LogP2.71
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide (PubChem CID 5342643) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide
PubChem CID5342643
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide
SMILESCc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)o1
InChIInChI=1S/C15H14N4O2S/c1-10-6-7-11(21-10)8-16-19-14(20)9-22-15-17-12-4-2-3-5-13(12)18-15/h2-8H,9H2,1H3,(H,17,18)(H,19,20)/b16-8+
InChIKeyROSDYSJLBNSVPP-LZYBPNLTSA-N
XLogP2.71
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide (CID 5342643) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide is Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)o1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide?
The InChIKey is ROSDYSJLBNSVPP-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-10-6-7-11(21-10)8-16-19-14(20)9-22-15-17-12-4-2-3-5-13(12)18-15/h2-8H,9H2,1H3,(H,17,18)(H,19,20)/b16-8+.
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide has a molecular weight of 314.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 5342643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).