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

C20H21Cl3N4O — CID 25140481

IUPAC2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)Cc1c(-c2ccc(Cl)c(N)c2)nc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C20H21Cl3N4O/c1-3-4-7-26(2)18(28)10-17-19(12-5-6-14(22)16(24)8-12)25-20-15(23)9-13(21)11-27(17)20/h5-6,8-9,11H,3-4,7,10,24H2,1-2H3
InChIKeyDFGUYFLOROSCRR-UHFFFAOYSA-N
MW439.77 g/mol
LogP5.34
Rot. Bonds6

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

2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N-butyl-N-methylacetamide (PubChem CID 25140481) has the molecular formula C20H21Cl3N4O and a molecular weight of 439.77 g/mol. Its IUPAC name is 2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N-butyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N-butyl-N-methylacetamide
PubChem CID25140481
Molecular FormulaC20H21Cl3N4O
Molecular Weight439.77 g/mol
Exact Mass438.08
IUPAC Name2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)Cc1c(-c2ccc(Cl)c(N)c2)nc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C20H21Cl3N4O/c1-3-4-7-26(2)18(28)10-17-19(12-5-6-14(22)16(24)8-12)25-20-15(23)9-13(21)11-27(17)20/h5-6,8-9,11H,3-4,7,10,24H2,1-2H3
InChIKeyDFGUYFLOROSCRR-UHFFFAOYSA-N
XLogP5.34
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.77
LogP ≤ 55.34
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-butyl-N-methylacetamide?
The IUPAC name of 2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N-butyl-N-methylacetamide (CID 25140481) is 2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N-butyl-N-methylacetamide.
What is the SMILES notation for 2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N-butyl-N-methylacetamide?
The canonical SMILES for 2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N-butyl-N-methylacetamide is CCCCN(C)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-butyl-N-methylacetamide?
The InChIKey is DFGUYFLOROSCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl3N4O/c1-3-4-7-26(2)18(28)10-17-19(12-5-6-14(22)16(24)8-12)25-20-15(23)9-13(21)11-27(17)20/h5-6,8-9,11H,3-4,7,10,24H2,1-2H3.
What are the key properties of 2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N-butyl-N-methylacetamide?
2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N-butyl-N-methylacetamide has a molecular weight of 439.77 g/mol, XLogP of 5.34, 6 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-butyl-N-methylacetamide is sourced from PubChem (CID 25140481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).