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

C20H16BrN3O — CID 15989466

IUPAC2-[6-bromo-3-(4-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol
SMILESCc1ccc(Nc2c(-c3ccccc3O)nc3ccc(Br)cn23)cc1
InChIInChI=1S/C20H16BrN3O/c1-13-6-9-15(10-7-13)22-20-19(16-4-2-3-5-17(16)25)23-18-11-8-14(21)12-24(18)20/h2-12,22,25H,1H3
InChIKeyJRHYHKCDYPLQOM-UHFFFAOYSA-N
MW394.27 g/mol
LogP5.52
Rot. Bonds3

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

2-[6-bromo-3-(4-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol (PubChem CID 15989466) has the molecular formula C20H16BrN3O and a molecular weight of 394.27 g/mol. Its IUPAC name is 2-[6-bromo-3-(4-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name2-[6-bromo-3-(4-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol
PubChem CID15989466
Molecular FormulaC20H16BrN3O
Molecular Weight394.27 g/mol
Exact Mass393.05
IUPAC Name2-[6-bromo-3-(4-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol
SMILESCc1ccc(Nc2c(-c3ccccc3O)nc3ccc(Br)cn23)cc1
InChIInChI=1S/C20H16BrN3O/c1-13-6-9-15(10-7-13)22-20-19(16-4-2-3-5-17(16)25)23-18-11-8-14(21)12-24(18)20/h2-12,22,25H,1H3
InChIKeyJRHYHKCDYPLQOM-UHFFFAOYSA-N
XLogP5.52
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.27
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-3-(4-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol?
The IUPAC name of 2-[6-bromo-3-(4-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol (CID 15989466) is 2-[6-bromo-3-(4-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol.
What is the SMILES notation for 2-[6-bromo-3-(4-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol?
The canonical SMILES for 2-[6-bromo-3-(4-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol is Cc1ccc(Nc2c(-c3ccccc3O)nc3ccc(Br)cn23)cc1.
What is the InChIKey of 2-[6-bromo-3-(4-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol?
The InChIKey is JRHYHKCDYPLQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O/c1-13-6-9-15(10-7-13)22-20-19(16-4-2-3-5-17(16)25)23-18-11-8-14(21)12-24(18)20/h2-12,22,25H,1H3.
What are the key properties of 2-[6-bromo-3-(4-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol?
2-[6-bromo-3-(4-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol has a molecular weight of 394.27 g/mol, XLogP of 5.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-3-(4-methylanilino)imidazo[1,2-a]pyridin-2-yl]phenol is sourced from PubChem (CID 15989466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).