2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide

C16H13FN4OS — CID 5342786

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1F
InChIInChI=1S/C16H13FN4OS/c17-12-6-2-1-5-11(12)9-18-21-15(22)10-23-16-19-13-7-3-4-8-14(13)20-16/h1-9H,10H2,(H,19,20)(H,21,22)/b18-9+
InChIKeyPLVXIDZDZRBSAH-GIJQJNRQSA-N
MW328.37 g/mol
LogP2.94
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide (PubChem CID 5342786) has the molecular formula C16H13FN4OS and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
PubChem CID5342786
Molecular FormulaC16H13FN4OS
Molecular Weight328.37 g/mol
Exact Mass328.08
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1F
InChIInChI=1S/C16H13FN4OS/c17-12-6-2-1-5-11(12)9-18-21-15(22)10-23-16-19-13-7-3-4-8-14(13)20-16/h1-9H,10H2,(H,19,20)(H,21,22)/b18-9+
InChIKeyPLVXIDZDZRBSAH-GIJQJNRQSA-N
XLogP2.94
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-(2-fluorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide (CID 5342786) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide is O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1F.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide?
The InChIKey is PLVXIDZDZRBSAH-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H13FN4OS/c17-12-6-2-1-5-11(12)9-18-21-15(22)10-23-16-19-13-7-3-4-8-14(13)20-16/h1-9H,10H2,(H,19,20)(H,21,22)/b18-9+.
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide has a molecular weight of 328.37 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 5342786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).