5-[[5-(chloromethyl)imidazol-1-yl]methyl]-2-methylpyridine

C11H12ClN3 — CID 66149795

IUPAC5-[[5-(chloromethyl)imidazol-1-yl]methyl]-2-methylpyridine
SMILESCc1ccc(Cn2cncc2CCl)cn1
InChIInChI=1S/C11H12ClN3/c1-9-2-3-10(5-14-9)7-15-8-13-6-11(15)4-12/h2-3,5-6,8H,4,7H2,1H3
InChIKeyHYRKTQMTYBZZCB-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.37
Rot. Bonds3

About 5-[[5-(chloromethyl)imidazol-1-yl]methyl]-2-methylpyridine

5-[[5-(chloromethyl)imidazol-1-yl]methyl]-2-methylpyridine (PubChem CID 66149795) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 5-[[5-(chloromethyl)imidazol-1-yl]methyl]-2-methylpyridine.

Molecular Properties

Compound Name5-[[5-(chloromethyl)imidazol-1-yl]methyl]-2-methylpyridine
PubChem CID66149795
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name5-[[5-(chloromethyl)imidazol-1-yl]methyl]-2-methylpyridine
SMILESCc1ccc(Cn2cncc2CCl)cn1
InChIInChI=1S/C11H12ClN3/c1-9-2-3-10(5-14-9)7-15-8-13-6-11(15)4-12/h2-3,5-6,8H,4,7H2,1H3
InChIKeyHYRKTQMTYBZZCB-UHFFFAOYSA-N
XLogP2.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]ethanamine
CID 104943054
5-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]imidazole
CID 66151662
4-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114720279
1-(1,3-benzodioxol-5-ylmethyl)-5-(chloromethyl)imidazole;hydrochloride
CID 18670780
5-(chloromethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazole
CID 66150644
5-[(2,5-dimethylpyrrol-1-yl)methyl]-2-methylpyridine
CID 62993324
[3-[(6-bromo-3-pyridinyl)methyl]imidazol-4-yl]methanol
CID 54016966
3-[[5-(chloromethyl)imidazol-1-yl]methyl]pyridazine
CID 106898071
5-(chloromethyl)-1-[(5-ethylthiophen-2-yl)methyl]imidazole
CID 106005568
5-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole
CID 18670887
5-(chloromethyl)-1-[2-(3-methylphenyl)ethyl]imidazole
CID 66151874
4-chloro-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-5-amine
CID 104822090

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(chloromethyl)imidazol-1-yl]methyl]-2-methylpyridine?
The IUPAC name of 5-[[5-(chloromethyl)imidazol-1-yl]methyl]-2-methylpyridine (CID 66149795) is 5-[[5-(chloromethyl)imidazol-1-yl]methyl]-2-methylpyridine.
What is the SMILES notation for 5-[[5-(chloromethyl)imidazol-1-yl]methyl]-2-methylpyridine?
The canonical SMILES for 5-[[5-(chloromethyl)imidazol-1-yl]methyl]-2-methylpyridine is Cc1ccc(Cn2cncc2CCl)cn1.
What is the InChIKey of 5-[[5-(chloromethyl)imidazol-1-yl]methyl]-2-methylpyridine?
The InChIKey is HYRKTQMTYBZZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-9-2-3-10(5-14-9)7-15-8-13-6-11(15)4-12/h2-3,5-6,8H,4,7H2,1H3.
What are the key properties of 5-[[5-(chloromethyl)imidazol-1-yl]methyl]-2-methylpyridine?
5-[[5-(chloromethyl)imidazol-1-yl]methyl]-2-methylpyridine has a molecular weight of 221.69 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(chloromethyl)imidazol-1-yl]methyl]-2-methylpyridine is sourced from PubChem (CID 66149795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).