2-(4,5-dimethylimidazol-1-yl)-5-fluorobenzenecarboximidamide

C12H13FN4 — CID 63667646

IUPAC2-(4,5-dimethylimidazol-1-yl)-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1-n1cnc(C)c1C
InChIInChI=1S/C12H13FN4/c1-7-8(2)17(6-16-7)11-4-3-9(13)5-10(11)12(14)15/h3-6H,1-2H3,(H3,14,15)
InChIKeyBIWLELSHHRPMHA-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.91
Rot. Bonds2

About 2-(4,5-dimethylimidazol-1-yl)-5-fluorobenzenecarboximidamide

2-(4,5-dimethylimidazol-1-yl)-5-fluorobenzenecarboximidamide (PubChem CID 63667646) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-5-fluorobenzenecarboximidamide
PubChem CID63667646
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1-n1cnc(C)c1C
InChIInChI=1S/C12H13FN4/c1-7-8(2)17(6-16-7)11-4-3-9(13)5-10(11)12(14)15/h3-6H,1-2H3,(H3,14,15)
InChIKeyBIWLELSHHRPMHA-UHFFFAOYSA-N
XLogP1.91
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-5-fluorobenzenecarboximidamide?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-5-fluorobenzenecarboximidamide (CID 63667646) is 2-(4,5-dimethylimidazol-1-yl)-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-5-fluorobenzenecarboximidamide?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1-n1cnc(C)c1C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-5-fluorobenzenecarboximidamide?
The InChIKey is BIWLELSHHRPMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-7-8(2)17(6-16-7)11-4-3-9(13)5-10(11)12(14)15/h3-6H,1-2H3,(H3,14,15).
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-5-fluorobenzenecarboximidamide?
2-(4,5-dimethylimidazol-1-yl)-5-fluorobenzenecarboximidamide has a molecular weight of 232.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 63667646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).