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

C22H16Cl3N3O — CID 11328255

IUPAC2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12)c1ccccc1
InChIInChI=1S/C22H16Cl3N3O/c1-27(17-5-3-2-4-6-17)20(29)12-19-21(14-7-9-15(23)10-8-14)26-22-18(25)11-16(24)13-28(19)22/h2-11,13H,12H2,1H3
InChIKeyNZIYXDPUJYAIRB-UHFFFAOYSA-N
MW444.75 g/mol
LogP6.17
Rot. Bonds4

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

2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide (PubChem CID 11328255) has the molecular formula C22H16Cl3N3O and a molecular weight of 444.75 g/mol. Its IUPAC name is 2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide
PubChem CID11328255
Molecular FormulaC22H16Cl3N3O
Molecular Weight444.75 g/mol
Exact Mass443.04
IUPAC Name2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12)c1ccccc1
InChIInChI=1S/C22H16Cl3N3O/c1-27(17-5-3-2-4-6-17)20(29)12-19-21(14-7-9-15(23)10-8-14)26-22-18(25)11-16(24)13-28(19)22/h2-11,13H,12H2,1H3
InChIKeyNZIYXDPUJYAIRB-UHFFFAOYSA-N
XLogP6.17
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.75
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide (CID 11328255) is 2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide is CN(C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12)c1ccccc1.
What is the InChIKey of 2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide?
The InChIKey is NZIYXDPUJYAIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl3N3O/c1-27(17-5-3-2-4-6-17)20(29)12-19-21(14-7-9-15(23)10-8-14)26-22-18(25)11-16(24)13-28(19)22/h2-11,13H,12H2,1H3.
What are the key properties of 2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide?
2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide has a molecular weight of 444.75 g/mol, XLogP of 6.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 11328255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).