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

C23H18Cl3N3O — CID 11442517

IUPACN-benzyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C23H18Cl3N3O/c1-28(13-15-5-3-2-4-6-15)21(30)12-20-22(16-7-9-17(24)10-8-16)27-23-19(26)11-18(25)14-29(20)23/h2-11,14H,12-13H2,1H3
InChIKeyQPLWUROXKVKJFO-UHFFFAOYSA-N
MW458.78 g/mol
LogP6.16
Rot. Bonds5

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

N-benzyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide (PubChem CID 11442517) has the molecular formula C23H18Cl3N3O and a molecular weight of 458.78 g/mol. Its IUPAC name is N-benzyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide
PubChem CID11442517
Molecular FormulaC23H18Cl3N3O
Molecular Weight458.78 g/mol
Exact Mass457.05
IUPAC NameN-benzyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C23H18Cl3N3O/c1-28(13-15-5-3-2-4-6-15)21(30)12-20-22(16-7-9-17(24)10-8-16)27-23-19(26)11-18(25)14-29(20)23/h2-11,14H,12-13H2,1H3
InChIKeyQPLWUROXKVKJFO-UHFFFAOYSA-N
XLogP6.16
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.78
LogP ≤ 56.16
H-Bond Donors ≤ 50
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]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide (CID 11442517) is N-benzyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide is CN(Cc1ccccc1)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12.
What is the InChIKey of N-benzyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide?
The InChIKey is QPLWUROXKVKJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl3N3O/c1-28(13-15-5-3-2-4-6-15)21(30)12-20-22(16-7-9-17(24)10-8-16)27-23-19(26)11-18(25)14-29(20)23/h2-11,14H,12-13H2,1H3.
What are the key properties of N-benzyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide?
N-benzyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide has a molecular weight of 458.78 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 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]-N-methylacetamide is sourced from PubChem (CID 11442517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).