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

C25H23Cl2N3O2 — CID 131993659

IUPAC2-[6,8-dichloro-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide
SMILESCCCOc1ccc(-c2nc3c(Cl)cc(Cl)cn3c2CC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C25H23Cl2N3O2/c1-3-13-32-20-11-9-17(10-12-20)24-22(30-16-18(26)14-21(27)25(30)28-24)15-23(31)29(2)19-7-5-4-6-8-19/h4-12,14,16H,3,13,15H2,1-2H3
InChIKeyWENKLSHWUWGLNR-UHFFFAOYSA-N
MW468.38 g/mol
LogP6.30
Rot. Bonds7

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

2-[6,8-dichloro-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide (PubChem CID 131993659) has the molecular formula C25H23Cl2N3O2 and a molecular weight of 468.38 g/mol. Its IUPAC name is 2-[6,8-dichloro-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[6,8-dichloro-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide
PubChem CID131993659
Molecular FormulaC25H23Cl2N3O2
Molecular Weight468.38 g/mol
Exact Mass467.12
IUPAC Name2-[6,8-dichloro-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide
SMILESCCCOc1ccc(-c2nc3c(Cl)cc(Cl)cn3c2CC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C25H23Cl2N3O2/c1-3-13-32-20-11-9-17(10-12-20)24-22(30-16-18(26)14-21(27)25(30)28-24)15-23(31)29(2)19-7-5-4-6-8-19/h4-12,14,16H,3,13,15H2,1-2H3
InChIKeyWENKLSHWUWGLNR-UHFFFAOYSA-N
XLogP6.30
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.38
LogP ≤ 56.30
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-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[6,8-dichloro-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide (CID 131993659) is 2-[6,8-dichloro-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[6,8-dichloro-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[6,8-dichloro-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide is CCCOc1ccc(-c2nc3c(Cl)cc(Cl)cn3c2CC(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of 2-[6,8-dichloro-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide?
The InChIKey is WENKLSHWUWGLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N3O2/c1-3-13-32-20-11-9-17(10-12-20)24-22(30-16-18(26)14-21(27)25(30)28-24)15-23(31)29(2)19-7-5-4-6-8-19/h4-12,14,16H,3,13,15H2,1-2H3.
What are the key properties of 2-[6,8-dichloro-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide?
2-[6,8-dichloro-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide has a molecular weight of 468.38 g/mol, XLogP of 6.30, 7 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-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 131993659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).