4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol

C21H19N3O2 — CID 46937787

IUPAC4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol
SMILESCc1cccc(C)c1Nc1c(-c2ccc(O)cc2O)nc2ccccn12
InChIInChI=1S/C21H19N3O2/c1-13-6-5-7-14(2)19(13)23-21-20(16-10-9-15(25)12-17(16)26)22-18-8-3-4-11-24(18)21/h3-12,23,25-26H,1-2H3
InChIKeyYXVFJWWQKGADLA-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.77
Rot. Bonds3

About 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol

4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol (PubChem CID 46937787) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol
PubChem CID46937787
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol
SMILESCc1cccc(C)c1Nc1c(-c2ccc(O)cc2O)nc2ccccn12
InChIInChI=1S/C21H19N3O2/c1-13-6-5-7-14(2)19(13)23-21-20(16-10-9-15(25)12-17(16)26)22-18-8-3-4-11-24(18)21/h3-12,23,25-26H,1-2H3
InChIKeyYXVFJWWQKGADLA-UHFFFAOYSA-N
XLogP4.77
TPSA69.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol?
The IUPAC name of 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol (CID 46937787) is 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol?
The canonical SMILES for 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol is Cc1cccc(C)c1Nc1c(-c2ccc(O)cc2O)nc2ccccn12.
What is the InChIKey of 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol?
The InChIKey is YXVFJWWQKGADLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-13-6-5-7-14(2)19(13)23-21-20(16-10-9-15(25)12-17(16)26)22-18-8-3-4-11-24(18)21/h3-12,23,25-26H,1-2H3.
What are the key properties of 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol?
4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol has a molecular weight of 345.40 g/mol, XLogP of 4.77, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol is sourced from PubChem (CID 46937787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).