6-bromo-2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine

C20H17BrN2O2 — CID 51359983

IUPAC6-bromo-2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine
SMILESCOc1ccccc1Cc1c(-c2ccco2)nc2c(C)cc(Br)cn12
InChIInChI=1S/C20H17BrN2O2/c1-13-10-15(21)12-23-16(11-14-6-3-4-7-17(14)24-2)19(22-20(13)23)18-8-5-9-25-18/h3-10,12H,11H2,1-2H3
InChIKeyCWZWWCYHKTVXHM-UHFFFAOYSA-N
MW397.27 g/mol
LogP5.26
Rot. Bonds4

About 6-bromo-2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine

6-bromo-2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine (PubChem CID 51359983) has the molecular formula C20H17BrN2O2 and a molecular weight of 397.27 g/mol. Its IUPAC name is 6-bromo-2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine
PubChem CID51359983
Molecular FormulaC20H17BrN2O2
Molecular Weight397.27 g/mol
Exact Mass396.05
IUPAC Name6-bromo-2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine
SMILESCOc1ccccc1Cc1c(-c2ccco2)nc2c(C)cc(Br)cn12
InChIInChI=1S/C20H17BrN2O2/c1-13-10-15(21)12-23-16(11-14-6-3-4-7-17(14)24-2)19(22-20(13)23)18-8-5-9-25-18/h3-10,12H,11H2,1-2H3
InChIKeyCWZWWCYHKTVXHM-UHFFFAOYSA-N
XLogP5.26
TPSA39.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.27
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine (CID 51359983) is 6-bromo-2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine is COc1ccccc1Cc1c(-c2ccco2)nc2c(C)cc(Br)cn12.
What is the InChIKey of 6-bromo-2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine?
The InChIKey is CWZWWCYHKTVXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O2/c1-13-10-15(21)12-23-16(11-14-6-3-4-7-17(14)24-2)19(22-20(13)23)18-8-5-9-25-18/h3-10,12H,11H2,1-2H3.
What are the key properties of 6-bromo-2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine?
6-bromo-2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine has a molecular weight of 397.27 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(furan-2-yl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 51359983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).