2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide

C14H12N4O2S — CID 6886508

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccco1
InChIInChI=1S/C14H12N4O2S/c19-13(18-15-8-10-4-3-7-20-10)9-21-14-16-11-5-1-2-6-12(11)17-14/h1-8H,9H2,(H,16,17)(H,18,19)/b15-8+
InChIKeyFALLSQZWJVANIS-OVCLIPMQSA-N
MW300.34 g/mol
LogP2.40
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide (PubChem CID 6886508) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide
PubChem CID6886508
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccco1
InChIInChI=1S/C14H12N4O2S/c19-13(18-15-8-10-4-3-7-20-10)9-21-14-16-11-5-1-2-6-12(11)17-14/h1-8H,9H2,(H,16,17)(H,18,19)/b15-8+
InChIKeyFALLSQZWJVANIS-OVCLIPMQSA-N
XLogP2.40
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.40
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)-furan-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide (CID 6886508) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide is O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccco1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide?
The InChIKey is FALLSQZWJVANIS-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H12N4O2S/c19-13(18-15-8-10-4-3-7-20-10)9-21-14-16-11-5-1-2-6-12(11)17-14/h1-8H,9H2,(H,16,17)(H,18,19)/b15-8+.
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide has a molecular weight of 300.34 g/mol, XLogP of 2.40, 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)-furan-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 6886508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).