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

C21H18BrN3O2 — CID 46937726

IUPAC4-[6-bromo-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol
SMILESCc1cccc(C)c1Nc1c(-c2ccc(O)cc2O)nc2ccc(Br)cn12
InChIInChI=1S/C21H18BrN3O2/c1-12-4-3-5-13(2)19(12)24-21-20(16-8-7-15(26)10-17(16)27)23-18-9-6-14(22)11-25(18)21/h3-11,24,26-27H,1-2H3
InChIKeyJRGUUVQKKXVTNQ-UHFFFAOYSA-N
MW424.30 g/mol
LogP5.54
Rot. Bonds3

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

4-[6-bromo-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol (PubChem CID 46937726) has the molecular formula C21H18BrN3O2 and a molecular weight of 424.30 g/mol. Its IUPAC name is 4-[6-bromo-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[6-bromo-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol
PubChem CID46937726
Molecular FormulaC21H18BrN3O2
Molecular Weight424.30 g/mol
Exact Mass423.06
IUPAC Name4-[6-bromo-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol
SMILESCc1cccc(C)c1Nc1c(-c2ccc(O)cc2O)nc2ccc(Br)cn12
InChIInChI=1S/C21H18BrN3O2/c1-12-4-3-5-13(2)19(12)24-21-20(16-8-7-15(26)10-17(16)27)23-18-9-6-14(22)11-25(18)21/h3-11,24,26-27H,1-2H3
InChIKeyJRGUUVQKKXVTNQ-UHFFFAOYSA-N
XLogP5.54
TPSA69.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.30
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-bromo-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol?
The IUPAC name of 4-[6-bromo-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol (CID 46937726) is 4-[6-bromo-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[6-bromo-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol?
The canonical SMILES for 4-[6-bromo-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol is Cc1cccc(C)c1Nc1c(-c2ccc(O)cc2O)nc2ccc(Br)cn12.
What is the InChIKey of 4-[6-bromo-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol?
The InChIKey is JRGUUVQKKXVTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O2/c1-12-4-3-5-13(2)19(12)24-21-20(16-8-7-15(26)10-17(16)27)23-18-9-6-14(22)11-25(18)21/h3-11,24,26-27H,1-2H3.
What are the key properties of 4-[6-bromo-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol?
4-[6-bromo-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol has a molecular weight of 424.30 g/mol, XLogP of 5.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-bromo-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol is sourced from PubChem (CID 46937726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).