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

C22H16Cl3N3O — CID 11453594

IUPACN-benzyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
SMILESO=C(Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12)NCc1ccccc1
InChIInChI=1S/C22H16Cl3N3O/c23-16-8-6-15(7-9-16)21-19(28-13-17(24)10-18(25)22(28)27-21)11-20(29)26-12-14-4-2-1-3-5-14/h1-10,13H,11-12H2,(H,26,29)
InChIKeyJRZIGYIBOCKYJT-UHFFFAOYSA-N
MW444.75 g/mol
LogP5.82
Rot. Bonds5

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

N-benzyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide (PubChem CID 11453594) has the molecular formula C22H16Cl3N3O and a molecular weight of 444.75 g/mol. Its IUPAC name is N-benzyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
PubChem CID11453594
Molecular FormulaC22H16Cl3N3O
Molecular Weight444.75 g/mol
Exact Mass443.04
IUPAC NameN-benzyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
SMILESO=C(Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12)NCc1ccccc1
InChIInChI=1S/C22H16Cl3N3O/c23-16-8-6-15(7-9-16)21-19(28-13-17(24)10-18(25)22(28)27-21)11-20(29)26-12-14-4-2-1-3-5-14/h1-10,13H,11-12H2,(H,26,29)
InChIKeyJRZIGYIBOCKYJT-UHFFFAOYSA-N
XLogP5.82
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.75
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
The IUPAC name of N-benzyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide (CID 11453594) is N-benzyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
The canonical SMILES for N-benzyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide is O=C(Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
The InChIKey is JRZIGYIBOCKYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl3N3O/c23-16-8-6-15(7-9-16)21-19(28-13-17(24)10-18(25)22(28)27-21)11-20(29)26-12-14-4-2-1-3-5-14/h1-10,13H,11-12H2,(H,26,29).
What are the key properties of N-benzyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
N-benzyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide has a molecular weight of 444.75 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide is sourced from PubChem (CID 11453594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).