2-(4,5-dimethylimidazol-1-yl)pyridine-4-carboximidamide

C11H13N5 — CID 62352348

IUPAC2-(4,5-dimethylimidazol-1-yl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(-n2cnc(C)c2C)c1
InChIInChI=1S/C11H13N5/c1-7-8(2)16(6-15-7)10-5-9(11(12)13)3-4-14-10/h3-6H,1-2H3,(H3,12,13)
InChIKeyNZBYBJFXGLIGNX-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.17
Rot. Bonds2

About 2-(4,5-dimethylimidazol-1-yl)pyridine-4-carboximidamide

2-(4,5-dimethylimidazol-1-yl)pyridine-4-carboximidamide (PubChem CID 62352348) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)pyridine-4-carboximidamide
PubChem CID62352348
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name2-(4,5-dimethylimidazol-1-yl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(-n2cnc(C)c2C)c1
InChIInChI=1S/C11H13N5/c1-7-8(2)16(6-15-7)10-5-9(11(12)13)3-4-14-10/h3-6H,1-2H3,(H3,12,13)
InChIKeyNZBYBJFXGLIGNX-UHFFFAOYSA-N
XLogP1.17
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.17
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)pyridine-4-carboximidamide?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)pyridine-4-carboximidamide (CID 62352348) is 2-(4,5-dimethylimidazol-1-yl)pyridine-4-carboximidamide.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)pyridine-4-carboximidamide?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(-n2cnc(C)c2C)c1.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)pyridine-4-carboximidamide?
The InChIKey is NZBYBJFXGLIGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-7-8(2)16(6-15-7)10-5-9(11(12)13)3-4-14-10/h3-6H,1-2H3,(H3,12,13).
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)pyridine-4-carboximidamide?
2-(4,5-dimethylimidazol-1-yl)pyridine-4-carboximidamide has a molecular weight of 215.26 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)pyridine-4-carboximidamide is sourced from PubChem (CID 62352348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).