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

C23H21ClN4O2 — CID 24855088

IUPAC2-[2-[3-(2-chloro-6-methylanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
SMILESCc1cccc(Cl)c1Nc1c(-c2ccccc2OCC(N)=O)nc2cccc(C)n12
InChIInChI=1S/C23H21ClN4O2/c1-14-7-5-10-17(24)21(14)27-23-22(26-20-12-6-8-15(2)28(20)23)16-9-3-4-11-18(16)30-13-19(25)29/h3-12,27H,13H2,1-2H3,(H2,25,29)
InChIKeyBKSUNJOKVRENGE-UHFFFAOYSA-N
MW420.90 g/mol
LogP4.88
Rot. Bonds6

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

2-[2-[3-(2-chloro-6-methylanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide (PubChem CID 24855088) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is 2-[2-[3-(2-chloro-6-methylanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[3-(2-chloro-6-methylanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
PubChem CID24855088
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC Name2-[2-[3-(2-chloro-6-methylanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide
SMILESCc1cccc(Cl)c1Nc1c(-c2ccccc2OCC(N)=O)nc2cccc(C)n12
InChIInChI=1S/C23H21ClN4O2/c1-14-7-5-10-17(24)21(14)27-23-22(26-20-12-6-8-15(2)28(20)23)16-9-3-4-11-18(16)30-13-19(25)29/h3-12,27H,13H2,1-2H3,(H2,25,29)
InChIKeyBKSUNJOKVRENGE-UHFFFAOYSA-N
XLogP4.88
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.88
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-chloro-6-methylanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide?
The IUPAC name of 2-[2-[3-(2-chloro-6-methylanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide (CID 24855088) is 2-[2-[3-(2-chloro-6-methylanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-[3-(2-chloro-6-methylanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide?
The canonical SMILES for 2-[2-[3-(2-chloro-6-methylanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide is Cc1cccc(Cl)c1Nc1c(-c2ccccc2OCC(N)=O)nc2cccc(C)n12.
What is the InChIKey of 2-[2-[3-(2-chloro-6-methylanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide?
The InChIKey is BKSUNJOKVRENGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-14-7-5-10-17(24)21(14)27-23-22(26-20-12-6-8-15(2)28(20)23)16-9-3-4-11-18(16)30-13-19(25)29/h3-12,27H,13H2,1-2H3,(H2,25,29).
What are the key properties of 2-[2-[3-(2-chloro-6-methylanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide?
2-[2-[3-(2-chloro-6-methylanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide has a molecular weight of 420.90 g/mol, XLogP of 4.88, 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-chloro-6-methylanilino)-5-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]acetamide is sourced from PubChem (CID 24855088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).