N-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine

C19H17N3S — CID 4288208

IUPACN-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine
SMILESCc1cccc(C)c1Nc1c(-c2ccsc2)nc2ccccn12
InChIInChI=1S/C19H17N3S/c1-13-6-5-7-14(2)17(13)21-19-18(15-9-11-23-12-15)20-16-8-3-4-10-22(16)19/h3-12,21H,1-2H3
InChIKeyGQMSWWQIJAUEMC-UHFFFAOYSA-N
MW319.43 g/mol
LogP5.42
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine

N-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine (PubChem CID 4288208) has the molecular formula C19H17N3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine
PubChem CID4288208
Molecular FormulaC19H17N3S
Molecular Weight319.43 g/mol
Exact Mass319.11
IUPAC NameN-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine
SMILESCc1cccc(C)c1Nc1c(-c2ccsc2)nc2ccccn12
InChIInChI=1S/C19H17N3S/c1-13-6-5-7-14(2)17(13)21-19-18(15-9-11-23-12-15)20-16-8-3-4-10-22(16)19/h3-12,21H,1-2H3
InChIKeyGQMSWWQIJAUEMC-UHFFFAOYSA-N
XLogP5.42
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.43
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine (CID 4288208) is N-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine is Cc1cccc(C)c1Nc1c(-c2ccsc2)nc2ccccn12.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is GQMSWWQIJAUEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3S/c1-13-6-5-7-14(2)17(13)21-19-18(15-9-11-23-12-15)20-16-8-3-4-10-22(16)19/h3-12,21H,1-2H3.
What are the key properties of N-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine?
N-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 319.43 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 4288208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).