6-bromo-2-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine

C24H23BrN2O3 — CID 51359984

IUPAC6-bromo-2-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine
SMILESCOc1ccccc1Cc1c(-c2ccc(OC)c(OC)c2)nc2c(C)cc(Br)cn12
InChIInChI=1S/C24H23BrN2O3/c1-15-11-18(25)14-27-19(12-16-7-5-6-8-20(16)28-2)23(26-24(15)27)17-9-10-21(29-3)22(13-17)30-4/h5-11,13-14H,12H2,1-4H3
InChIKeyOPENWUYGZVEWPW-UHFFFAOYSA-N
MW467.36 g/mol
LogP5.69
Rot. Bonds6

About 6-bromo-2-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine

6-bromo-2-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine (PubChem CID 51359984) has the molecular formula C24H23BrN2O3 and a molecular weight of 467.36 g/mol. Its IUPAC name is 6-bromo-2-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine
PubChem CID51359984
Molecular FormulaC24H23BrN2O3
Molecular Weight467.36 g/mol
Exact Mass466.09
IUPAC Name6-bromo-2-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine
SMILESCOc1ccccc1Cc1c(-c2ccc(OC)c(OC)c2)nc2c(C)cc(Br)cn12
InChIInChI=1S/C24H23BrN2O3/c1-15-11-18(25)14-27-19(12-16-7-5-6-8-20(16)28-2)23(26-24(15)27)17-9-10-21(29-3)22(13-17)30-4/h5-11,13-14H,12H2,1-4H3
InChIKeyOPENWUYGZVEWPW-UHFFFAOYSA-N
XLogP5.69
TPSA44.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.36
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine (CID 51359984) is 6-bromo-2-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine is COc1ccccc1Cc1c(-c2ccc(OC)c(OC)c2)nc2c(C)cc(Br)cn12.
What is the InChIKey of 6-bromo-2-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine?
The InChIKey is OPENWUYGZVEWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O3/c1-15-11-18(25)14-27-19(12-16-7-5-6-8-20(16)28-2)23(26-24(15)27)17-9-10-21(29-3)22(13-17)30-4/h5-11,13-14H,12H2,1-4H3.
What are the key properties of 6-bromo-2-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine?
6-bromo-2-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine has a molecular weight of 467.36 g/mol, XLogP of 5.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 51359984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).