3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloroaniline;dihydrochloride

C15H14BrCl4N3O — CID 18923317

IUPAC3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloroaniline;dihydrochloride
SMILESCc1nc2c(OCc3c(Cl)ccc(N)c3Cl)cccn2c1Br.Cl.Cl
InChIInChI=1S/C15H12BrCl2N3O.2ClH/c1-8-14(16)21-6-2-3-12(15(21)20-8)22-7-9-10(17)4-5-11(19)13(9)18;;/h2-6H,7,19H2,1H3;2*1H
InChIKeyRHZHGNVNHBHDGW-UHFFFAOYSA-N
MW474.01 g/mol
LogP5.72
Rot. Bonds3

About 3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloroaniline;dihydrochloride

3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloroaniline;dihydrochloride (PubChem CID 18923317) has the molecular formula C15H14BrCl4N3O and a molecular weight of 474.01 g/mol. Its IUPAC name is 3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloroaniline;dihydrochloride.

Molecular Properties

Compound Name3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloroaniline;dihydrochloride
PubChem CID18923317
Molecular FormulaC15H14BrCl4N3O
Molecular Weight474.01 g/mol
Exact Mass470.91
IUPAC Name3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloroaniline;dihydrochloride
SMILESCc1nc2c(OCc3c(Cl)ccc(N)c3Cl)cccn2c1Br.Cl.Cl
InChIInChI=1S/C15H12BrCl2N3O.2ClH/c1-8-14(16)21-6-2-3-12(15(21)20-8)22-7-9-10(17)4-5-11(19)13(9)18;;/h2-6H,7,19H2,1H3;2*1H
InChIKeyRHZHGNVNHBHDGW-UHFFFAOYSA-N
XLogP5.72
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.01
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-8-[(2,6-dichloro-3-nitrophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine
CID 11796916
3-bromo-8-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methylimidazo[1,2-a]pyridine
CID 23371756
1-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]pyrrole-2-carbonitrile
CID 18321947
1-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-1,3-dimethylurea
CID 10504612
[acetyl-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino] acetate;hydrochloride
CID 18923532
2-[acetyl(bromo)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide
CID 18923379
methyl 3,5-dibromo-4-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate
CID 18923235
N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 45261914
N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]propanamide
CID 10649831
N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-3-(dimethylamino)propanamide;dihydrochloride
CID 23371741
N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 67625015
2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]aniline;dihydrochloride
CID 22113140

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloroaniline;dihydrochloride?
The IUPAC name of 3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloroaniline;dihydrochloride (CID 18923317) is 3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloroaniline;dihydrochloride.
What is the SMILES notation for 3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloroaniline;dihydrochloride?
The canonical SMILES for 3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloroaniline;dihydrochloride is Cc1nc2c(OCc3c(Cl)ccc(N)c3Cl)cccn2c1Br.Cl.Cl.
What is the InChIKey of 3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloroaniline;dihydrochloride?
The InChIKey is RHZHGNVNHBHDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2N3O.2ClH/c1-8-14(16)21-6-2-3-12(15(21)20-8)22-7-9-10(17)4-5-11(19)13(9)18;;/h2-6H,7,19H2,1H3;2*1H.
What are the key properties of 3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloroaniline;dihydrochloride?
3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloroaniline;dihydrochloride has a molecular weight of 474.01 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloroaniline;dihydrochloride is sourced from PubChem (CID 18923317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).