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

C25H23Cl2N3O — CID 11316920

IUPACN-butyl-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylacetamide
SMILESCCCCN(C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12)c1ccccc1
InChIInChI=1S/C25H23Cl2N3O/c1-2-3-15-29(21-7-5-4-6-8-21)24(31)16-22-25(18-9-11-19(26)12-10-18)28-23-14-13-20(27)17-30(22)23/h4-14,17H,2-3,15-16H2,1H3
InChIKeyHVTDZMXLBOBLOO-UHFFFAOYSA-N
MW452.39 g/mol
LogP6.68
Rot. Bonds7

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

N-butyl-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylacetamide (PubChem CID 11316920) has the molecular formula C25H23Cl2N3O and a molecular weight of 452.39 g/mol. Its IUPAC name is N-butyl-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-butyl-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylacetamide
PubChem CID11316920
Molecular FormulaC25H23Cl2N3O
Molecular Weight452.39 g/mol
Exact Mass451.12
IUPAC NameN-butyl-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylacetamide
SMILESCCCCN(C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12)c1ccccc1
InChIInChI=1S/C25H23Cl2N3O/c1-2-3-15-29(21-7-5-4-6-8-21)24(31)16-22-25(18-9-11-19(26)12-10-18)28-23-14-13-20(27)17-30(22)23/h4-14,17H,2-3,15-16H2,1H3
InChIKeyHVTDZMXLBOBLOO-UHFFFAOYSA-N
XLogP6.68
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.39
LogP ≤ 56.68
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-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylacetamide?
The IUPAC name of N-butyl-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylacetamide (CID 11316920) is N-butyl-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylacetamide.
What is the SMILES notation for N-butyl-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylacetamide?
The canonical SMILES for N-butyl-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylacetamide is CCCCN(C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12)c1ccccc1.
What is the InChIKey of N-butyl-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylacetamide?
The InChIKey is HVTDZMXLBOBLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N3O/c1-2-3-15-29(21-7-5-4-6-8-21)24(31)16-22-25(18-9-11-19(26)12-10-18)28-23-14-13-20(27)17-30(22)23/h4-14,17H,2-3,15-16H2,1H3.
What are the key properties of N-butyl-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylacetamide?
N-butyl-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylacetamide has a molecular weight of 452.39 g/mol, XLogP of 6.68, 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-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylacetamide is sourced from PubChem (CID 11316920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).