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

C16H16BrN3O — CID 28912632

IUPAC2-[6-bromo-3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine
SMILESCOc1ccc(-c2c(CCN)nc3ccc(Br)cn23)cc1
InChIInChI=1S/C16H16BrN3O/c1-21-13-5-2-11(3-6-13)16-14(8-9-18)19-15-7-4-12(17)10-20(15)16/h2-7,10H,8-9,18H2,1H3
InChIKeyRTEVSCHQIRAKBG-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.27
Rot. Bonds4

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

2-[6-bromo-3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine (PubChem CID 28912632) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is 2-[6-bromo-3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[6-bromo-3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine
PubChem CID28912632
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name2-[6-bromo-3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine
SMILESCOc1ccc(-c2c(CCN)nc3ccc(Br)cn23)cc1
InChIInChI=1S/C16H16BrN3O/c1-21-13-5-2-11(3-6-13)16-14(8-9-18)19-15-7-4-12(17)10-20(15)16/h2-7,10H,8-9,18H2,1H3
InChIKeyRTEVSCHQIRAKBG-UHFFFAOYSA-N
XLogP3.27
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine?
The IUPAC name of 2-[6-bromo-3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine (CID 28912632) is 2-[6-bromo-3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine.
What is the SMILES notation for 2-[6-bromo-3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine?
The canonical SMILES for 2-[6-bromo-3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine is COc1ccc(-c2c(CCN)nc3ccc(Br)cn23)cc1.
What is the InChIKey of 2-[6-bromo-3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine?
The InChIKey is RTEVSCHQIRAKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c1-21-13-5-2-11(3-6-13)16-14(8-9-18)19-15-7-4-12(17)10-20(15)16/h2-7,10H,8-9,18H2,1H3.
What are the key properties of 2-[6-bromo-3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine?
2-[6-bromo-3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine has a molecular weight of 346.23 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine is sourced from PubChem (CID 28912632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).