6-chloro-3-(chloromethyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine

C16H14Cl2N2O2 — CID 39133106

IUPAC6-chloro-3-(chloromethyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3ccc(Cl)cn3c2CCl)cc1OC
InChIInChI=1S/C16H14Cl2N2O2/c1-21-13-5-3-10(7-14(13)22-2)16-12(8-17)20-9-11(18)4-6-15(20)19-16/h3-7,9H,8H2,1-2H3
InChIKeyNTDVAVCSTFBAHQ-UHFFFAOYSA-N
MW337.21 g/mol
LogP4.41
Rot. Bonds4

About 6-chloro-3-(chloromethyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine

6-chloro-3-(chloromethyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine (PubChem CID 39133106) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is 6-chloro-3-(chloromethyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-3-(chloromethyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine
PubChem CID39133106
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name6-chloro-3-(chloromethyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3ccc(Cl)cn3c2CCl)cc1OC
InChIInChI=1S/C16H14Cl2N2O2/c1-21-13-5-3-10(7-14(13)22-2)16-12(8-17)20-9-11(18)4-6-15(20)19-16/h3-7,9H,8H2,1-2H3
InChIKeyNTDVAVCSTFBAHQ-UHFFFAOYSA-N
XLogP4.41
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[6-chloro-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199396
6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride
CID 67028658
6-chloro-N-cyclohexyl-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 3488126
[2-(3,4-dimethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]methanamine
CID 82060633
2-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127619
2-(3-bromophenyl)-6-chloro-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine
CID 51360607
2-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866284
2-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39134102
3-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 39195760
6-chloro-3-(chloromethyl)-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine
CID 82029741
2-(3,4-dimethoxyphenyl)-3,7-dimethylimidazo[1,2-a]pyridin-6-amine
CID 82060074
2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 82030130

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(chloromethyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-3-(chloromethyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine (CID 39133106) is 6-chloro-3-(chloromethyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-3-(chloromethyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-3-(chloromethyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine is COc1ccc(-c2nc3ccc(Cl)cn3c2CCl)cc1OC.
What is the InChIKey of 6-chloro-3-(chloromethyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine?
The InChIKey is NTDVAVCSTFBAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c1-21-13-5-3-10(7-14(13)22-2)16-12(8-17)20-9-11(18)4-6-15(20)19-16/h3-7,9H,8H2,1-2H3.
What are the key properties of 6-chloro-3-(chloromethyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine?
6-chloro-3-(chloromethyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine has a molecular weight of 337.21 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(chloromethyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 39133106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).