2-(2,4-dichlorophenoxy)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide

C23H19Cl2N3O2 — CID 121089952

IUPAC2-(2,4-dichlorophenoxy)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
SMILESCc1ccn2cc(-c3ccc(C)c(NC(=O)COc4ccc(Cl)cc4Cl)c3)nc2c1
InChIInChI=1S/C23H19Cl2N3O2/c1-14-7-8-28-12-20(26-22(28)9-14)16-4-3-15(2)19(10-16)27-23(29)13-30-21-6-5-17(24)11-18(21)25/h3-12H,13H2,1-2H3,(H,27,29)
InChIKeyHESJIOKQFPTJRF-UHFFFAOYSA-N
MW440.33 g/mol
LogP5.94
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide

2-(2,4-dichlorophenoxy)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide (PubChem CID 121089952) has the molecular formula C23H19Cl2N3O2 and a molecular weight of 440.33 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
PubChem CID121089952
Molecular FormulaC23H19Cl2N3O2
Molecular Weight440.33 g/mol
Exact Mass439.09
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
SMILESCc1ccn2cc(-c3ccc(C)c(NC(=O)COc4ccc(Cl)cc4Cl)c3)nc2c1
InChIInChI=1S/C23H19Cl2N3O2/c1-14-7-8-28-12-20(26-22(28)9-14)16-4-3-15(2)19(10-16)27-23(29)13-30-21-6-5-17(24)11-18(21)25/h3-12H,13H2,1-2H3,(H,27,29)
InChIKeyHESJIOKQFPTJRF-UHFFFAOYSA-N
XLogP5.94
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.33
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide (CID 121089952) is 2-(2,4-dichlorophenoxy)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide is Cc1ccn2cc(-c3ccc(C)c(NC(=O)COc4ccc(Cl)cc4Cl)c3)nc2c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide?
The InChIKey is HESJIOKQFPTJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O2/c1-14-7-8-28-12-20(26-22(28)9-14)16-4-3-15(2)19(10-16)27-23(29)13-30-21-6-5-17(24)11-18(21)25/h3-12H,13H2,1-2H3,(H,27,29).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide has a molecular weight of 440.33 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide is sourced from PubChem (CID 121089952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).