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

C12H15N5 — CID 63882416

IUPAC4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(Cn2cnc(C)c2C)ccn1
InChIInChI=1S/C12H15N5/c1-8-9(2)17(7-16-8)6-10-3-4-15-11(5-10)12(13)14/h3-5,7H,6H2,1-2H3,(H3,13,14)
InChIKeySSMWALKGGFWXLR-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.23
Rot. Bonds3

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

4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine-2-carboximidamide (PubChem CID 63882416) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine-2-carboximidamide
PubChem CID63882416
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(Cn2cnc(C)c2C)ccn1
InChIInChI=1S/C12H15N5/c1-8-9(2)17(7-16-8)6-10-3-4-15-11(5-10)12(13)14/h3-5,7H,6H2,1-2H3,(H3,13,14)
InChIKeySSMWALKGGFWXLR-UHFFFAOYSA-N
XLogP1.23
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.23
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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Related Compounds

4-[(3,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 79188906
4-(hydroxymethyl)pyridine-2-carboximidamide
CID 63882803
4-(azocan-1-ylmethyl)pyridine-2-carboximidamide
CID 63880856
4-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide
CID 63882036
4-[(dimethylamino)methyl]pyridine-2-carboximidamide
CID 63880470
4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 103356372
4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine
CID 115648480
4-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylpyridin-2-amine
CID 62466356
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pyridine-2-carboximidamide
CID 66392896
3-[(4,5-dimethylimidazol-1-yl)methyl]benzenecarbothioamide
CID 62351814
[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methanamine
CID 62350541
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)pyridine-2-carboximidamide
CID 63880669

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine-2-carboximidamide?
The IUPAC name of 4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine-2-carboximidamide (CID 63882416) is 4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine-2-carboximidamide?
The canonical SMILES for 4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(Cn2cnc(C)c2C)ccn1.
What is the InChIKey of 4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine-2-carboximidamide?
The InChIKey is SSMWALKGGFWXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-8-9(2)17(7-16-8)6-10-3-4-15-11(5-10)12(13)14/h3-5,7H,6H2,1-2H3,(H3,13,14).
What are the key properties of 4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine-2-carboximidamide?
4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine-2-carboximidamide has a molecular weight of 229.29 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 63882416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).