methyl 2-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylacetate

C22H17BrN2O2 — CID 150703582

IUPACmethyl 2-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)c1c(-c2cccc(Br)c2)nc2ccccn12
InChIInChI=1S/C22H17BrN2O2/c1-27-22(26)19(15-8-3-2-4-9-15)21-20(16-10-7-11-17(23)14-16)24-18-12-5-6-13-25(18)21/h2-14,19H,1H3
InChIKeyJMJVBTOVYGHLHE-UHFFFAOYSA-N
MW421.29 g/mol
LogP5.07
Rot. Bonds4

About methyl 2-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylacetate

methyl 2-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylacetate (PubChem CID 150703582) has the molecular formula C22H17BrN2O2 and a molecular weight of 421.29 g/mol. Its IUPAC name is methyl 2-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylacetate
PubChem CID150703582
Molecular FormulaC22H17BrN2O2
Molecular Weight421.29 g/mol
Exact Mass420.05
IUPAC Namemethyl 2-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)c1c(-c2cccc(Br)c2)nc2ccccn12
InChIInChI=1S/C22H17BrN2O2/c1-27-22(26)19(15-8-3-2-4-9-15)21-20(16-10-7-11-17(23)14-16)24-18-12-5-6-13-25(18)21/h2-14,19H,1H3
InChIKeyJMJVBTOVYGHLHE-UHFFFAOYSA-N
XLogP5.07
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.29
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylacetate?
The IUPAC name of methyl 2-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylacetate (CID 150703582) is methyl 2-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylacetate.
What is the SMILES notation for methyl 2-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylacetate?
The canonical SMILES for methyl 2-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylacetate is COC(=O)C(c1ccccc1)c1c(-c2cccc(Br)c2)nc2ccccn12.
What is the InChIKey of methyl 2-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylacetate?
The InChIKey is JMJVBTOVYGHLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN2O2/c1-27-22(26)19(15-8-3-2-4-9-15)21-20(16-10-7-11-17(23)14-16)24-18-12-5-6-13-25(18)21/h2-14,19H,1H3.
What are the key properties of methyl 2-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylacetate?
methyl 2-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylacetate has a molecular weight of 421.29 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylacetate is sourced from PubChem (CID 150703582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).