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

C20H20Cl3N3O — CID 11201082

IUPACN-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide
SMILESCCCCN(C)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C20H20Cl3N3O/c1-3-4-9-25(2)18(27)11-17-19(13-5-7-14(21)8-6-13)24-20-16(23)10-15(22)12-26(17)20/h5-8,10,12H,3-4,9,11H2,1-2H3
InChIKeyDMYKDDKHSWCLSJ-UHFFFAOYSA-N
MW424.76 g/mol
LogP5.76
Rot. Bonds6

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

N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide (PubChem CID 11201082) has the molecular formula C20H20Cl3N3O and a molecular weight of 424.76 g/mol. Its IUPAC name is N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide
PubChem CID11201082
Molecular FormulaC20H20Cl3N3O
Molecular Weight424.76 g/mol
Exact Mass423.07
IUPAC NameN-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide
SMILESCCCCN(C)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C20H20Cl3N3O/c1-3-4-9-25(2)18(27)11-17-19(13-5-7-14(21)8-6-13)24-20-16(23)10-15(22)12-26(17)20/h5-8,10,12H,3-4,9,11H2,1-2H3
InChIKeyDMYKDDKHSWCLSJ-UHFFFAOYSA-N
XLogP5.76
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.76
LogP ≤ 55.76
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-methylacetamide?
The IUPAC name of N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide (CID 11201082) is N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide?
The canonical SMILES for N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide is CCCCN(C)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12.
What is the InChIKey of N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide?
The InChIKey is DMYKDDKHSWCLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl3N3O/c1-3-4-9-25(2)18(27)11-17-19(13-5-7-14(21)8-6-13)24-20-16(23)10-15(22)12-26(17)20/h5-8,10,12H,3-4,9,11H2,1-2H3.
What are the key properties of N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide?
N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide has a molecular weight of 424.76 g/mol, XLogP of 5.76, 6 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-methylacetamide is sourced from PubChem (CID 11201082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).