tert-butyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate

C21H23Cl2N3O3 — CID 23371746

IUPACtert-butyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate
SMILESCc1cn2cccc(OCc3c(Cl)ccc(N(C)C(=O)OC(C)(C)C)c3Cl)c2n1
InChIInChI=1S/C21H23Cl2N3O3/c1-13-11-26-10-6-7-17(19(26)24-13)28-12-14-15(22)8-9-16(18(14)23)25(5)20(27)29-21(2,3)4/h6-11H,12H2,1-5H3
InChIKeyAEEMENHSUWKHEA-UHFFFAOYSA-N
MW436.34 g/mol
LogP5.90
Rot. Bonds4

About tert-butyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate

tert-butyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate (PubChem CID 23371746) has the molecular formula C21H23Cl2N3O3 and a molecular weight of 436.34 g/mol. Its IUPAC name is tert-butyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate
PubChem CID23371746
Molecular FormulaC21H23Cl2N3O3
Molecular Weight436.34 g/mol
Exact Mass435.11
IUPAC Nametert-butyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate
SMILESCc1cn2cccc(OCc3c(Cl)ccc(N(C)C(=O)OC(C)(C)C)c3Cl)c2n1
InChIInChI=1S/C21H23Cl2N3O3/c1-13-11-26-10-6-7-17(19(26)24-13)28-12-14-15(22)8-9-16(18(14)23)25(5)20(27)29-21(2,3)4/h6-11H,12H2,1-5H3
InChIKeyAEEMENHSUWKHEA-UHFFFAOYSA-N
XLogP5.90
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.34
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate
CID 18923593
N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methyl-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride
CID 67656283
N-[3,5-dichloro-4-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 18923545
N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 67656946
N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 67656417
1-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-1,3-dimethylurea
CID 10504612
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-[acetyl(bromo)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide
CID 18923379
N-(2,6-dichlorophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110500214
N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]propanamide
CID 10649831
2-amino-N-[2,4-dichloro-3-[(1,2-dimethylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide
CID 15462176
8-[(2-methoxyphenyl)methoxy]-2-methylimidazo[1,2-a]pyridine
CID 21286352

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate (CID 23371746) is tert-butyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate is Cc1cn2cccc(OCc3c(Cl)ccc(N(C)C(=O)OC(C)(C)C)c3Cl)c2n1.
What is the InChIKey of tert-butyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate?
The InChIKey is AEEMENHSUWKHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O3/c1-13-11-26-10-6-7-17(19(26)24-13)28-12-14-15(22)8-9-16(18(14)23)25(5)20(27)29-21(2,3)4/h6-11H,12H2,1-5H3.
What are the key properties of tert-butyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate?
tert-butyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate has a molecular weight of 436.34 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2,4-dichloro-3-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylcarbamate is sourced from PubChem (CID 23371746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).