3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-ethyl-N-methylaniline

C18H18BrCl2N3O — CID 10789357

IUPAC3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-ethyl-N-methylaniline
SMILESCCN(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl
InChIInChI=1S/C18H18BrCl2N3O/c1-4-23(3)14-8-7-13(20)12(16(14)21)10-25-15-6-5-9-24-17(19)11(2)22-18(15)24/h5-9H,4,10H2,1-3H3
InChIKeyCCYYQYZNHPGFSQ-UHFFFAOYSA-N
MW443.17 g/mol
LogP5.75
Rot. Bonds5

About 3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-ethyl-N-methylaniline

3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-ethyl-N-methylaniline (PubChem CID 10789357) has the molecular formula C18H18BrCl2N3O and a molecular weight of 443.17 g/mol. Its IUPAC name is 3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-ethyl-N-methylaniline.

Molecular Properties

Compound Name3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-ethyl-N-methylaniline
PubChem CID10789357
Molecular FormulaC18H18BrCl2N3O
Molecular Weight443.17 g/mol
Exact Mass441.00
IUPAC Name3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-ethyl-N-methylaniline
SMILESCCN(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl
InChIInChI=1S/C18H18BrCl2N3O/c1-4-23(3)14-8-7-13(20)12(16(14)21)10-25-15-6-5-9-24-17(19)11(2)22-18(15)24/h5-9H,4,10H2,1-3H3
InChIKeyCCYYQYZNHPGFSQ-UHFFFAOYSA-N
XLogP5.75
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.17
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

FR167344
CID 9810391
4-[(E)-3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylbenzamide;hydrochloride
CID 9810390
(E)-N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide;hydrochloride
CID 18923341
4-[(E)-3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide;hydrochloride
CID 18923352
(E)-3-(6-acetamido-3-pyridinyl)-N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]prop-2-enamide;dihydrochloride
CID 18923431
(E)-N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-3-[4-(methylcarbamoylamino)phenyl]prop-2-enamide;hydrochloride
CID 18923465
5-[(E)-3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylpyridine-2-carboxamide;dihydrochloride
CID 18923711
2-[(3-acetylphenyl)carbamoylamino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide;hydrochloride
CID 18923731
3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N,N-dimethylbenzamide;hydrochloride
CID 23371747
3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-(2-methoxyethyl)benzamide;hydrochloride
CID 23371751
5-[(E)-3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylpyridine-2-carboxamide;dihydrochloride
CID 45265075
(E)-3-(4-acetamidophenyl)-N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]prop-2-enamide;hydrochloride
CID 45261908

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-ethyl-N-methylaniline?
The IUPAC name of 3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-ethyl-N-methylaniline (CID 10789357) is 3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-ethyl-N-methylaniline.
What is the SMILES notation for 3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-ethyl-N-methylaniline?
The canonical SMILES for 3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-ethyl-N-methylaniline is CCN(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl.
What is the InChIKey of 3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-ethyl-N-methylaniline?
The InChIKey is CCYYQYZNHPGFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrCl2N3O/c1-4-23(3)14-8-7-13(20)12(16(14)21)10-25-15-6-5-9-24-17(19)11(2)22-18(15)24/h5-9H,4,10H2,1-3H3.
What are the key properties of 3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-ethyl-N-methylaniline?
3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-ethyl-N-methylaniline has a molecular weight of 443.17 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 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-dichloro-N-ethyl-N-methylaniline is sourced from PubChem (CID 10789357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).