3-(chloromethyl)-2-(4-methoxy-3-methylphenyl)-8-methylimidazo[1,2-a]pyridine

C17H17ClN2O — CID 39126375

IUPAC3-(chloromethyl)-2-(4-methoxy-3-methylphenyl)-8-methylimidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3c(C)cccn3c2CCl)cc1C
InChIInChI=1S/C17H17ClN2O/c1-11-5-4-8-20-14(10-18)16(19-17(11)20)13-6-7-15(21-3)12(2)9-13/h4-9H,10H2,1-3H3
InChIKeyGSPTWYVDACJKTC-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.37
Rot. Bonds3

About 3-(chloromethyl)-2-(4-methoxy-3-methylphenyl)-8-methylimidazo[1,2-a]pyridine

3-(chloromethyl)-2-(4-methoxy-3-methylphenyl)-8-methylimidazo[1,2-a]pyridine (PubChem CID 39126375) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(4-methoxy-3-methylphenyl)-8-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(4-methoxy-3-methylphenyl)-8-methylimidazo[1,2-a]pyridine
PubChem CID39126375
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name3-(chloromethyl)-2-(4-methoxy-3-methylphenyl)-8-methylimidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3c(C)cccn3c2CCl)cc1C
InChIInChI=1S/C17H17ClN2O/c1-11-5-4-8-20-14(10-18)16(19-17(11)20)13-6-7-15(21-3)12(2)9-13/h4-9H,10H2,1-3H3
InChIKeyGSPTWYVDACJKTC-UHFFFAOYSA-N
XLogP4.37
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.37
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

3-(chloromethyl)-2-(3,4-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine
CID 39126353
1-[2-(4-methoxy-3-methylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanol
CID 82029446
3-(chloromethyl)-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
CID 82029739
2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 2758451
3-(chloromethyl)-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine
CID 39132917
2-[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127534
3-amino-2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 82355906
1-[2-(2,5-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine
CID 39146199
2-(3,4-dimethylphenyl)-8-methoxyimidazo[1,2-a]pyridin-3-amine
CID 63617301
2-(3-methoxyphenyl)-8-methyl-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
CID 7023701
2-(4-bromo-3-methylphenyl)-8-methoxyimidazo[1,2-a]pyridin-3-amine
CID 66480092
CID 89392592
CID 89392592

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(4-methoxy-3-methylphenyl)-8-methylimidazo[1,2-a]pyridine?
The IUPAC name of 3-(chloromethyl)-2-(4-methoxy-3-methylphenyl)-8-methylimidazo[1,2-a]pyridine (CID 39126375) is 3-(chloromethyl)-2-(4-methoxy-3-methylphenyl)-8-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(4-methoxy-3-methylphenyl)-8-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-(chloromethyl)-2-(4-methoxy-3-methylphenyl)-8-methylimidazo[1,2-a]pyridine is COc1ccc(-c2nc3c(C)cccn3c2CCl)cc1C.
What is the InChIKey of 3-(chloromethyl)-2-(4-methoxy-3-methylphenyl)-8-methylimidazo[1,2-a]pyridine?
The InChIKey is GSPTWYVDACJKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-11-5-4-8-20-14(10-18)16(19-17(11)20)13-6-7-15(21-3)12(2)9-13/h4-9H,10H2,1-3H3.
What are the key properties of 3-(chloromethyl)-2-(4-methoxy-3-methylphenyl)-8-methylimidazo[1,2-a]pyridine?
3-(chloromethyl)-2-(4-methoxy-3-methylphenyl)-8-methylimidazo[1,2-a]pyridine has a molecular weight of 300.79 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(4-methoxy-3-methylphenyl)-8-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 39126375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).