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

C25H22Cl3N3O — CID 11465907

IUPACN-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylacetamide
SMILESCCCCN(C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12)c1ccccc1
InChIInChI=1S/C25H22Cl3N3O/c1-2-3-13-30(20-7-5-4-6-8-20)23(32)15-22-24(17-9-11-18(26)12-10-17)29-25-21(28)14-19(27)16-31(22)25/h4-12,14,16H,2-3,13,15H2,1H3
InChIKeyAZKBPBNCLYXTHL-UHFFFAOYSA-N
MW486.83 g/mol
LogP7.34
Rot. Bonds7

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

N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylacetamide (PubChem CID 11465907) has the molecular formula C25H22Cl3N3O and a molecular weight of 486.83 g/mol. Its IUPAC name is N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylacetamide
PubChem CID11465907
Molecular FormulaC25H22Cl3N3O
Molecular Weight486.83 g/mol
Exact Mass485.08
IUPAC NameN-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylacetamide
SMILESCCCCN(C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12)c1ccccc1
InChIInChI=1S/C25H22Cl3N3O/c1-2-3-13-30(20-7-5-4-6-8-20)23(32)15-22-24(17-9-11-18(26)12-10-17)29-25-21(28)14-19(27)16-31(22)25/h4-12,14,16H,2-3,13,15H2,1H3
InChIKeyAZKBPBNCLYXTHL-UHFFFAOYSA-N
XLogP7.34
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.83
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylacetamide?
The IUPAC name of N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylacetamide (CID 11465907) is N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylacetamide.
What is the SMILES notation for N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylacetamide?
The canonical SMILES for N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylacetamide is CCCCN(C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12)c1ccccc1.
What is the InChIKey of N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylacetamide?
The InChIKey is AZKBPBNCLYXTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl3N3O/c1-2-3-13-30(20-7-5-4-6-8-20)23(32)15-22-24(17-9-11-18(26)12-10-17)29-25-21(28)14-19(27)16-31(22)25/h4-12,14,16H,2-3,13,15H2,1H3.
What are the key properties of N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylacetamide?
N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylacetamide has a molecular weight of 486.83 g/mol, XLogP of 7.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylacetamide is sourced from PubChem (CID 11465907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).