N-butyl-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine

C18H19Cl2N3 — CID 69338112

IUPACN-butyl-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
SMILESCCCCNc1c(-c2ccc(Cl)cc2Cl)nc2ccc(C)cn12
InChIInChI=1S/C18H19Cl2N3/c1-3-4-9-21-18-17(14-7-6-13(19)10-15(14)20)22-16-8-5-12(2)11-23(16)18/h5-8,10-11,21H,3-4,9H2,1-2H3
InChIKeyLAMOQYYNQMSDFZ-UHFFFAOYSA-N
MW348.28 g/mol
LogP5.83
Rot. Bonds5

About N-butyl-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine

N-butyl-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 69338112) has the molecular formula C18H19Cl2N3 and a molecular weight of 348.28 g/mol. Its IUPAC name is N-butyl-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-butyl-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID69338112
Molecular FormulaC18H19Cl2N3
Molecular Weight348.28 g/mol
Exact Mass347.10
IUPAC NameN-butyl-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
SMILESCCCCNc1c(-c2ccc(Cl)cc2Cl)nc2ccc(C)cn12
InChIInChI=1S/C18H19Cl2N3/c1-3-4-9-21-18-17(14-7-6-13(19)10-15(14)20)22-16-8-5-12(2)11-23(16)18/h5-8,10-11,21H,3-4,9H2,1-2H3
InChIKeyLAMOQYYNQMSDFZ-UHFFFAOYSA-N
XLogP5.83
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.28
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-butyl-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine (CID 69338112) is N-butyl-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-butyl-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-butyl-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine is CCCCNc1c(-c2ccc(Cl)cc2Cl)nc2ccc(C)cn12.
What is the InChIKey of N-butyl-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is LAMOQYYNQMSDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3/c1-3-4-9-21-18-17(14-7-6-13(19)10-15(14)20)22-16-8-5-12(2)11-23(16)18/h5-8,10-11,21H,3-4,9H2,1-2H3.
What are the key properties of N-butyl-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine?
N-butyl-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 348.28 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 69338112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).