(2,6-dichlorophenyl)-[2-(4-methylsulfanylanilino)imidazo[1,2-a]pyridin-6-yl]methanone

C21H15Cl2N3OS — CID 5330602

IUPAC(2,6-dichlorophenyl)-[2-(4-methylsulfanylanilino)imidazo[1,2-a]pyridin-6-yl]methanone
SMILESCSc1ccc(Nc2cn3cc(C(=O)c4c(Cl)cccc4Cl)ccc3n2)cc1
InChIInChI=1S/C21H15Cl2N3OS/c1-28-15-8-6-14(7-9-15)24-18-12-26-11-13(5-10-19(26)25-18)21(27)20-16(22)3-2-4-17(20)23/h2-12,24H,1H3
InChIKeyJASAPMIIPNNGGS-UHFFFAOYSA-N
MW428.34 g/mol
LogP6.34
Rot. Bonds5

About (2,6-dichlorophenyl)-[2-(4-methylsulfanylanilino)imidazo[1,2-a]pyridin-6-yl]methanone

(2,6-dichlorophenyl)-[2-(4-methylsulfanylanilino)imidazo[1,2-a]pyridin-6-yl]methanone (PubChem CID 5330602) has the molecular formula C21H15Cl2N3OS and a molecular weight of 428.34 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-[2-(4-methylsulfanylanilino)imidazo[1,2-a]pyridin-6-yl]methanone.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-[2-(4-methylsulfanylanilino)imidazo[1,2-a]pyridin-6-yl]methanone
PubChem CID5330602
Molecular FormulaC21H15Cl2N3OS
Molecular Weight428.34 g/mol
Exact Mass427.03
IUPAC Name(2,6-dichlorophenyl)-[2-(4-methylsulfanylanilino)imidazo[1,2-a]pyridin-6-yl]methanone
SMILESCSc1ccc(Nc2cn3cc(C(=O)c4c(Cl)cccc4Cl)ccc3n2)cc1
InChIInChI=1S/C21H15Cl2N3OS/c1-28-15-8-6-14(7-9-15)24-18-12-26-11-13(5-10-19(26)25-18)21(27)20-16(22)3-2-4-17(20)23/h2-12,24H,1H3
InChIKeyJASAPMIIPNNGGS-UHFFFAOYSA-N
XLogP6.34
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.34
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-[2-(4-methylsulfanylanilino)imidazo[1,2-a]pyridin-6-yl]methanone?
The IUPAC name of (2,6-dichlorophenyl)-[2-(4-methylsulfanylanilino)imidazo[1,2-a]pyridin-6-yl]methanone (CID 5330602) is (2,6-dichlorophenyl)-[2-(4-methylsulfanylanilino)imidazo[1,2-a]pyridin-6-yl]methanone.
What is the SMILES notation for (2,6-dichlorophenyl)-[2-(4-methylsulfanylanilino)imidazo[1,2-a]pyridin-6-yl]methanone?
The canonical SMILES for (2,6-dichlorophenyl)-[2-(4-methylsulfanylanilino)imidazo[1,2-a]pyridin-6-yl]methanone is CSc1ccc(Nc2cn3cc(C(=O)c4c(Cl)cccc4Cl)ccc3n2)cc1.
What is the InChIKey of (2,6-dichlorophenyl)-[2-(4-methylsulfanylanilino)imidazo[1,2-a]pyridin-6-yl]methanone?
The InChIKey is JASAPMIIPNNGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3OS/c1-28-15-8-6-14(7-9-15)24-18-12-26-11-13(5-10-19(26)25-18)21(27)20-16(22)3-2-4-17(20)23/h2-12,24H,1H3.
What are the key properties of (2,6-dichlorophenyl)-[2-(4-methylsulfanylanilino)imidazo[1,2-a]pyridin-6-yl]methanone?
(2,6-dichlorophenyl)-[2-(4-methylsulfanylanilino)imidazo[1,2-a]pyridin-6-yl]methanone has a molecular weight of 428.34 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-[2-(4-methylsulfanylanilino)imidazo[1,2-a]pyridin-6-yl]methanone is sourced from PubChem (CID 5330602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).