7-fluoro-N'-hydroxy-3H-benzimidazole-5-carboximidamide

C8H7FN4O — CID 76787414

IUPAC7-fluoro-N'-hydroxy-3H-benzimidazole-5-carboximidamide
SMILESNC(=NO)c1cc(F)c2nc[nH]c2c1
InChIInChI=1S/C8H7FN4O/c9-5-1-4(8(10)13-14)2-6-7(5)12-3-11-6/h1-3,14H,(H2,10,13)(H,11,12)
InChIKeyLNWBYPYIRYLCGL-UHFFFAOYSA-N
MW194.17 g/mol
LogP0.80
Rot. Bonds1

About 7-fluoro-N'-hydroxy-3H-benzimidazole-5-carboximidamide

7-fluoro-N'-hydroxy-3H-benzimidazole-5-carboximidamide (PubChem CID 76787414) has the molecular formula C8H7FN4O and a molecular weight of 194.17 g/mol. Its IUPAC name is 7-fluoro-N'-hydroxy-3H-benzimidazole-5-carboximidamide.

Molecular Properties

Compound Name7-fluoro-N'-hydroxy-3H-benzimidazole-5-carboximidamide
PubChem CID76787414
Molecular FormulaC8H7FN4O
Molecular Weight194.17 g/mol
Exact Mass194.06
IUPAC Name7-fluoro-N'-hydroxy-3H-benzimidazole-5-carboximidamide
SMILESNC(=NO)c1cc(F)c2nc[nH]c2c1
InChIInChI=1S/C8H7FN4O/c9-5-1-4(8(10)13-14)2-6-7(5)12-3-11-6/h1-3,14H,(H2,10,13)(H,11,12)
InChIKeyLNWBYPYIRYLCGL-UHFFFAOYSA-N
XLogP0.80
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 7-fluoro-N'-hydroxy-3H-benzimidazole-5-carboximidamide?
The IUPAC name of 7-fluoro-N'-hydroxy-3H-benzimidazole-5-carboximidamide (CID 76787414) is 7-fluoro-N'-hydroxy-3H-benzimidazole-5-carboximidamide.
What is the SMILES notation for 7-fluoro-N'-hydroxy-3H-benzimidazole-5-carboximidamide?
The canonical SMILES for 7-fluoro-N'-hydroxy-3H-benzimidazole-5-carboximidamide is NC(=NO)c1cc(F)c2nc[nH]c2c1.
What is the InChIKey of 7-fluoro-N'-hydroxy-3H-benzimidazole-5-carboximidamide?
The InChIKey is LNWBYPYIRYLCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4O/c9-5-1-4(8(10)13-14)2-6-7(5)12-3-11-6/h1-3,14H,(H2,10,13)(H,11,12).
What are the key properties of 7-fluoro-N'-hydroxy-3H-benzimidazole-5-carboximidamide?
7-fluoro-N'-hydroxy-3H-benzimidazole-5-carboximidamide has a molecular weight of 194.17 g/mol, XLogP of 0.80, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N'-hydroxy-3H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 76787414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).