2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide

C23H19Cl2N3O2 — CID 24945828

IUPAC2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide
SMILESCOc1ccc(-c2nc3c(Cl)cc(Cl)cn3c2CC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C23H19Cl2N3O2/c1-27(17-6-4-3-5-7-17)21(29)13-20-22(15-8-10-18(30-2)11-9-15)26-23-19(25)12-16(24)14-28(20)23/h3-12,14H,13H2,1-2H3
InChIKeyQJCLUBBQLHBLOP-UHFFFAOYSA-N
MW440.33 g/mol
LogP5.52
Rot. Bonds5

About 2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide

2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide (PubChem CID 24945828) has the molecular formula C23H19Cl2N3O2 and a molecular weight of 440.33 g/mol. Its IUPAC name is 2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide
PubChem CID24945828
Molecular FormulaC23H19Cl2N3O2
Molecular Weight440.33 g/mol
Exact Mass439.09
IUPAC Name2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide
SMILESCOc1ccc(-c2nc3c(Cl)cc(Cl)cn3c2CC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C23H19Cl2N3O2/c1-27(17-6-4-3-5-7-17)21(29)13-20-22(15-8-10-18(30-2)11-9-15)26-23-19(25)12-16(24)14-28(20)23/h3-12,14H,13H2,1-2H3
InChIKeyQJCLUBBQLHBLOP-UHFFFAOYSA-N
XLogP5.52
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.33
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide (CID 24945828) is 2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide is COc1ccc(-c2nc3c(Cl)cc(Cl)cn3c2CC(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of 2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide?
The InChIKey is QJCLUBBQLHBLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O2/c1-27(17-6-4-3-5-7-17)21(29)13-20-22(15-8-10-18(30-2)11-9-15)26-23-19(25)12-16(24)14-28(20)23/h3-12,14H,13H2,1-2H3.
What are the key properties of 2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide?
2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide has a molecular weight of 440.33 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 24945828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).