2-(1-benzothiophen-2-yl)-6-bromo-5-methylimidazo[1,2-a]pyridine

C16H11BrN2S — CID 114911422

IUPAC2-(1-benzothiophen-2-yl)-6-bromo-5-methylimidazo[1,2-a]pyridine
SMILESCc1c(Br)ccc2nc(-c3cc4ccccc4s3)cn12
InChIInChI=1S/C16H11BrN2S/c1-10-12(17)6-7-16-18-13(9-19(10)16)15-8-11-4-2-3-5-14(11)20-15/h2-9H,1H3
InChIKeyWPLUTIAXNKQBHA-UHFFFAOYSA-N
MW343.25 g/mol
LogP5.29
Rot. Bonds1

About 2-(1-benzothiophen-2-yl)-6-bromo-5-methylimidazo[1,2-a]pyridine

2-(1-benzothiophen-2-yl)-6-bromo-5-methylimidazo[1,2-a]pyridine (PubChem CID 114911422) has the molecular formula C16H11BrN2S and a molecular weight of 343.25 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-6-bromo-5-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-6-bromo-5-methylimidazo[1,2-a]pyridine
PubChem CID114911422
Molecular FormulaC16H11BrN2S
Molecular Weight343.25 g/mol
Exact Mass341.98
IUPAC Name2-(1-benzothiophen-2-yl)-6-bromo-5-methylimidazo[1,2-a]pyridine
SMILESCc1c(Br)ccc2nc(-c3cc4ccccc4s3)cn12
InChIInChI=1S/C16H11BrN2S/c1-10-12(17)6-7-16-18-13(9-19(10)16)15-8-11-4-2-3-5-14(11)20-15/h2-9H,1H3
InChIKeyWPLUTIAXNKQBHA-UHFFFAOYSA-N
XLogP5.29
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.25
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-6-bromo-5-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-(1-benzothiophen-2-yl)-6-bromo-5-methylimidazo[1,2-a]pyridine (CID 114911422) is 2-(1-benzothiophen-2-yl)-6-bromo-5-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-6-bromo-5-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-6-bromo-5-methylimidazo[1,2-a]pyridine is Cc1c(Br)ccc2nc(-c3cc4ccccc4s3)cn12.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-6-bromo-5-methylimidazo[1,2-a]pyridine?
The InChIKey is WPLUTIAXNKQBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2S/c1-10-12(17)6-7-16-18-13(9-19(10)16)15-8-11-4-2-3-5-14(11)20-15/h2-9H,1H3.
What are the key properties of 2-(1-benzothiophen-2-yl)-6-bromo-5-methylimidazo[1,2-a]pyridine?
2-(1-benzothiophen-2-yl)-6-bromo-5-methylimidazo[1,2-a]pyridine has a molecular weight of 343.25 g/mol, XLogP of 5.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-6-bromo-5-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 114911422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).