2-[2-[3-(2,6-dichloroanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide

C22H18Cl2N4O2 — CID 24855089

IUPAC2-[2-[3-(2,6-dichloroanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
SMILESCc1cccc2nc(-c3ccccc3OCC(N)=O)c(Nc3c(Cl)cccc3Cl)n12
InChIInChI=1S/C22H18Cl2N4O2/c1-13-6-4-11-19-26-20(14-7-2-3-10-17(14)30-12-18(25)29)22(28(13)19)27-21-15(23)8-5-9-16(21)24/h2-11,27H,12H2,1H3,(H2,25,29)
InChIKeyMENXGZZCZXBKJI-UHFFFAOYSA-N
MW441.32 g/mol
LogP5.22
Rot. Bonds6

About 2-[2-[3-(2,6-dichloroanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide

2-[2-[3-(2,6-dichloroanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide (PubChem CID 24855089) has the molecular formula C22H18Cl2N4O2 and a molecular weight of 441.32 g/mol. Its IUPAC name is 2-[2-[3-(2,6-dichloroanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[3-(2,6-dichloroanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
PubChem CID24855089
Molecular FormulaC22H18Cl2N4O2
Molecular Weight441.32 g/mol
Exact Mass440.08
IUPAC Name2-[2-[3-(2,6-dichloroanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
SMILESCc1cccc2nc(-c3ccccc3OCC(N)=O)c(Nc3c(Cl)cccc3Cl)n12
InChIInChI=1S/C22H18Cl2N4O2/c1-13-6-4-11-19-26-20(14-7-2-3-10-17(14)30-12-18(25)29)22(28(13)19)27-21-15(23)8-5-9-16(21)24/h2-11,27H,12H2,1H3,(H2,25,29)
InChIKeyMENXGZZCZXBKJI-UHFFFAOYSA-N
XLogP5.22
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.32
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2,6-dichloroanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide?
The IUPAC name of 2-[2-[3-(2,6-dichloroanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide (CID 24855089) is 2-[2-[3-(2,6-dichloroanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-[3-(2,6-dichloroanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide?
The canonical SMILES for 2-[2-[3-(2,6-dichloroanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide is Cc1cccc2nc(-c3ccccc3OCC(N)=O)c(Nc3c(Cl)cccc3Cl)n12.
What is the InChIKey of 2-[2-[3-(2,6-dichloroanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide?
The InChIKey is MENXGZZCZXBKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O2/c1-13-6-4-11-19-26-20(14-7-2-3-10-17(14)30-12-18(25)29)22(28(13)19)27-21-15(23)8-5-9-16(21)24/h2-11,27H,12H2,1H3,(H2,25,29).
What are the key properties of 2-[2-[3-(2,6-dichloroanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide?
2-[2-[3-(2,6-dichloroanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide has a molecular weight of 441.32 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2,6-dichloroanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide is sourced from PubChem (CID 24855089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).