2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide

C21H23Cl3N4O — CID 25138879

IUPAC2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)c(N)c2)nc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C21H23Cl3N4O/c1-3-7-27(8-4-2)19(29)11-18-20(13-5-6-15(23)17(25)9-13)26-21-16(24)10-14(22)12-28(18)21/h5-6,9-10,12H,3-4,7-8,11,25H2,1-2H3
InChIKeyOEJBGIXBKZZTIO-UHFFFAOYSA-N
MW453.80 g/mol
LogP5.73
Rot. Bonds7

About 2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide

2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide (PubChem CID 25138879) has the molecular formula C21H23Cl3N4O and a molecular weight of 453.80 g/mol. Its IUPAC name is 2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
PubChem CID25138879
Molecular FormulaC21H23Cl3N4O
Molecular Weight453.80 g/mol
Exact Mass452.09
IUPAC Name2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)c(N)c2)nc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C21H23Cl3N4O/c1-3-7-27(8-4-2)19(29)11-18-20(13-5-6-15(23)17(25)9-13)26-21-16(24)10-14(22)12-28(18)21/h5-6,9-10,12H,3-4,7-8,11,25H2,1-2H3
InChIKeyOEJBGIXBKZZTIO-UHFFFAOYSA-N
XLogP5.73
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.80
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide (CID 25138879) is 2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)c(N)c2)nc2c(Cl)cc(Cl)cn12.
What is the InChIKey of 2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide?
The InChIKey is OEJBGIXBKZZTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl3N4O/c1-3-7-27(8-4-2)19(29)11-18-20(13-5-6-15(23)17(25)9-13)26-21-16(24)10-14(22)12-28(18)21/h5-6,9-10,12H,3-4,7-8,11,25H2,1-2H3.
What are the key properties of 2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide?
2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide has a molecular weight of 453.80 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 25138879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).