N,N-dibutyl-2-[8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide

C23H27Cl2N3O — CID 11201295

IUPACN,N-dibutyl-2-[8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
SMILESCCCCN(CCCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cccn12
InChIInChI=1S/C23H27Cl2N3O/c1-3-5-13-27(14-6-4-2)21(29)16-20-22(17-9-11-18(24)12-10-17)26-23-19(25)8-7-15-28(20)23/h7-12,15H,3-6,13-14,16H2,1-2H3
InChIKeyFHIPKYFSLFDLBD-UHFFFAOYSA-N
MW432.40 g/mol
LogP6.28
Rot. Bonds9

About N,N-dibutyl-2-[8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide

N,N-dibutyl-2-[8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide (PubChem CID 11201295) has the molecular formula C23H27Cl2N3O and a molecular weight of 432.40 g/mol. Its IUPAC name is N,N-dibutyl-2-[8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-[8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
PubChem CID11201295
Molecular FormulaC23H27Cl2N3O
Molecular Weight432.40 g/mol
Exact Mass431.15
IUPAC NameN,N-dibutyl-2-[8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
SMILESCCCCN(CCCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cccn12
InChIInChI=1S/C23H27Cl2N3O/c1-3-5-13-27(14-6-4-2)21(29)16-20-22(17-9-11-18(24)12-10-17)26-23-19(25)8-7-15-28(20)23/h7-12,15H,3-6,13-14,16H2,1-2H3
InChIKeyFHIPKYFSLFDLBD-UHFFFAOYSA-N
XLogP6.28
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.40
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-[8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
The IUPAC name of N,N-dibutyl-2-[8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide (CID 11201295) is N,N-dibutyl-2-[8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide.
What is the SMILES notation for N,N-dibutyl-2-[8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
The canonical SMILES for N,N-dibutyl-2-[8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide is CCCCN(CCCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cccn12.
What is the InChIKey of N,N-dibutyl-2-[8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
The InChIKey is FHIPKYFSLFDLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N3O/c1-3-5-13-27(14-6-4-2)21(29)16-20-22(17-9-11-18(24)12-10-17)26-23-19(25)8-7-15-28(20)23/h7-12,15H,3-6,13-14,16H2,1-2H3.
What are the key properties of N,N-dibutyl-2-[8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
N,N-dibutyl-2-[8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide has a molecular weight of 432.40 g/mol, XLogP of 6.28, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-[8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide is sourced from PubChem (CID 11201295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).