3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine

C15H13ClN2 — CID 39126150

IUPAC3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3ccccn3c2CCl)cc1
InChIInChI=1S/C15H13ClN2/c1-11-5-7-12(8-6-11)15-13(10-16)18-9-3-2-4-14(18)17-15/h2-9H,10H2,1H3
InChIKeyBZDKCVROJXTHFR-UHFFFAOYSA-N
MW256.74 g/mol
LogP4.05
Rot. Bonds2

About 3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine

3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine (PubChem CID 39126150) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
PubChem CID39126150
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3ccccn3c2CCl)cc1
InChIInChI=1S/C15H13ClN2/c1-11-5-7-12(8-6-11)15-13(10-16)18-9-3-2-4-14(18)17-15/h2-9H,10H2,1H3
InChIKeyBZDKCVROJXTHFR-UHFFFAOYSA-N
XLogP4.05
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine
CID 39132917
3-(chloromethyl)-2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridine
CID 39132933
4-methyl-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 156789846
2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2760437
N,N-dimethyl-4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]aniline
CID 166067979
[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 2757796
3-(chloromethyl)-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine
CID 39133020
methyl 2-amino-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate
CID 170884111
4-methyl-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]benzamide
CID 54857010
(2-phenylimidazo[1,2-a]pyridin-3-yl)methanol
CID 15455971
3-(chloromethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride
CID 162000002
3-(chloromethyl)-2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridine;hydrochloride
CID 67028789

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine (CID 39126150) is 3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine is Cc1ccc(-c2nc3ccccn3c2CCl)cc1.
What is the InChIKey of 3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine?
The InChIKey is BZDKCVROJXTHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2/c1-11-5-7-12(8-6-11)15-13(10-16)18-9-3-2-4-14(18)17-15/h2-9H,10H2,1H3.
What are the key properties of 3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine?
3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine has a molecular weight of 256.74 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 39126150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).