4-[6-bromo-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol

C21H18BrN3O2 — CID 15989648

IUPAC4-[6-bromo-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol
SMILESCOc1cc(O)ccc1-c1nc2ccc(Br)cn2c1Nc1ccccc1C
InChIInChI=1S/C21H18BrN3O2/c1-13-5-3-4-6-17(13)23-21-20(16-9-8-15(26)11-18(16)27-2)24-19-10-7-14(22)12-25(19)21/h3-12,23,26H,1-2H3
InChIKeySSJJQZJGZDYINO-UHFFFAOYSA-N
MW424.30 g/mol
LogP5.53
Rot. Bonds4

About 4-[6-bromo-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol

4-[6-bromo-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol (PubChem CID 15989648) has the molecular formula C21H18BrN3O2 and a molecular weight of 424.30 g/mol. Its IUPAC name is 4-[6-bromo-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol.

Molecular Properties

Compound Name4-[6-bromo-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol
PubChem CID15989648
Molecular FormulaC21H18BrN3O2
Molecular Weight424.30 g/mol
Exact Mass423.06
IUPAC Name4-[6-bromo-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol
SMILESCOc1cc(O)ccc1-c1nc2ccc(Br)cn2c1Nc1ccccc1C
InChIInChI=1S/C21H18BrN3O2/c1-13-5-3-4-6-17(13)23-21-20(16-9-8-15(26)11-18(16)27-2)24-19-10-7-14(22)12-25(19)21/h3-12,23,26H,1-2H3
InChIKeySSJJQZJGZDYINO-UHFFFAOYSA-N
XLogP5.53
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.30
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-bromo-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol?
The IUPAC name of 4-[6-bromo-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol (CID 15989648) is 4-[6-bromo-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol.
What is the SMILES notation for 4-[6-bromo-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol?
The canonical SMILES for 4-[6-bromo-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol is COc1cc(O)ccc1-c1nc2ccc(Br)cn2c1Nc1ccccc1C.
What is the InChIKey of 4-[6-bromo-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol?
The InChIKey is SSJJQZJGZDYINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O2/c1-13-5-3-4-6-17(13)23-21-20(16-9-8-15(26)11-18(16)27-2)24-19-10-7-14(22)12-25(19)21/h3-12,23,26H,1-2H3.
What are the key properties of 4-[6-bromo-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol?
4-[6-bromo-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol has a molecular weight of 424.30 g/mol, XLogP of 5.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-bromo-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-3-methoxyphenol is sourced from PubChem (CID 15989648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).