1-(2-fluoroethyl)-N'-hydroxy-4,5-dimethylimidazole-2-carboximidamide

C8H13FN4O — CID 164661921

IUPAC1-(2-fluoroethyl)-N'-hydroxy-4,5-dimethylimidazole-2-carboximidamide
SMILESCc1nc(/C(N)=N/O)n(CCF)c1C
InChIInChI=1S/C8H13FN4O/c1-5-6(2)13(4-3-9)8(11-5)7(10)12-14/h14H,3-4H2,1-2H3,(H2,10,12)
InChIKeyOCNSSQHAVHYREH-UHFFFAOYSA-N
MW200.22 g/mol
LogP0.56
Rot. Bonds3

About 1-(2-fluoroethyl)-N'-hydroxy-4,5-dimethylimidazole-2-carboximidamide

1-(2-fluoroethyl)-N'-hydroxy-4,5-dimethylimidazole-2-carboximidamide (PubChem CID 164661921) has the molecular formula C8H13FN4O and a molecular weight of 200.22 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-N'-hydroxy-4,5-dimethylimidazole-2-carboximidamide.

Molecular Properties

Compound Name1-(2-fluoroethyl)-N'-hydroxy-4,5-dimethylimidazole-2-carboximidamide
PubChem CID164661921
Molecular FormulaC8H13FN4O
Molecular Weight200.22 g/mol
Exact Mass200.11
IUPAC Name1-(2-fluoroethyl)-N'-hydroxy-4,5-dimethylimidazole-2-carboximidamide
SMILESCc1nc(/C(N)=N/O)n(CCF)c1C
InChIInChI=1S/C8H13FN4O/c1-5-6(2)13(4-3-9)8(11-5)7(10)12-14/h14H,3-4H2,1-2H3,(H2,10,12)
InChIKeyOCNSSQHAVHYREH-UHFFFAOYSA-N
XLogP0.56
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-(2-fluoroethyl)-N'-hydroxy-4,5-dimethylimidazole-2-carboximidamide?
The IUPAC name of 1-(2-fluoroethyl)-N'-hydroxy-4,5-dimethylimidazole-2-carboximidamide (CID 164661921) is 1-(2-fluoroethyl)-N'-hydroxy-4,5-dimethylimidazole-2-carboximidamide.
What is the SMILES notation for 1-(2-fluoroethyl)-N'-hydroxy-4,5-dimethylimidazole-2-carboximidamide?
The canonical SMILES for 1-(2-fluoroethyl)-N'-hydroxy-4,5-dimethylimidazole-2-carboximidamide is Cc1nc(/C(N)=N/O)n(CCF)c1C.
What is the InChIKey of 1-(2-fluoroethyl)-N'-hydroxy-4,5-dimethylimidazole-2-carboximidamide?
The InChIKey is OCNSSQHAVHYREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4O/c1-5-6(2)13(4-3-9)8(11-5)7(10)12-14/h14H,3-4H2,1-2H3,(H2,10,12).
What are the key properties of 1-(2-fluoroethyl)-N'-hydroxy-4,5-dimethylimidazole-2-carboximidamide?
1-(2-fluoroethyl)-N'-hydroxy-4,5-dimethylimidazole-2-carboximidamide has a molecular weight of 200.22 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-N'-hydroxy-4,5-dimethylimidazole-2-carboximidamide is sourced from PubChem (CID 164661921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).