2-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine

C21H18ClN3 — CID 5043706

IUPAC2-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc2nc(-c3ccc(Cl)cc3)c(Nc3ccccc3C)n2c1
InChIInChI=1S/C21H18ClN3/c1-14-7-12-19-24-20(16-8-10-17(22)11-9-16)21(25(19)13-14)23-18-6-4-3-5-15(18)2/h3-13,23H,1-2H3
InChIKeyHITZAUBUYFNDDA-UHFFFAOYSA-N
MW347.85 g/mol
LogP6.02
Rot. Bonds3

About 2-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine

2-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 5043706) has the molecular formula C21H18ClN3 and a molecular weight of 347.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID5043706
Molecular FormulaC21H18ClN3
Molecular Weight347.85 g/mol
Exact Mass347.12
IUPAC Name2-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc2nc(-c3ccc(Cl)cc3)c(Nc3ccccc3C)n2c1
InChIInChI=1S/C21H18ClN3/c1-14-7-12-19-24-20(16-8-10-17(22)11-9-16)21(25(19)13-14)23-18-6-4-3-5-15(18)2/h3-13,23H,1-2H3
InChIKeyHITZAUBUYFNDDA-UHFFFAOYSA-N
XLogP6.02
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.85
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine (CID 5043706) is 2-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine is Cc1ccc2nc(-c3ccc(Cl)cc3)c(Nc3ccccc3C)n2c1.
What is the InChIKey of 2-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is HITZAUBUYFNDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3/c1-14-7-12-19-24-20(16-8-10-17(22)11-9-16)21(25(19)13-14)23-18-6-4-3-5-15(18)2/h3-13,23H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
2-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 347.85 g/mol, XLogP of 6.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 5043706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).