6-bromo-2-(furan-2-yl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine

C16H11BrN2OS — CID 51361283

IUPAC6-bromo-2-(furan-2-yl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
SMILESBrc1ccc2nc(-c3ccco3)c(Cc3ccsc3)n2c1
InChIInChI=1S/C16H11BrN2OS/c17-12-3-4-15-18-16(14-2-1-6-20-14)13(19(15)9-12)8-11-5-7-21-10-11/h1-7,9-10H,8H2
InChIKeyMPFSIFRPGZMJHH-UHFFFAOYSA-N
MW359.25 g/mol
LogP5.01
Rot. Bonds3

About 6-bromo-2-(furan-2-yl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine

6-bromo-2-(furan-2-yl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 51361283) has the molecular formula C16H11BrN2OS and a molecular weight of 359.25 g/mol. Its IUPAC name is 6-bromo-2-(furan-2-yl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-(furan-2-yl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID51361283
Molecular FormulaC16H11BrN2OS
Molecular Weight359.25 g/mol
Exact Mass357.98
IUPAC Name6-bromo-2-(furan-2-yl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
SMILESBrc1ccc2nc(-c3ccco3)c(Cc3ccsc3)n2c1
InChIInChI=1S/C16H11BrN2OS/c17-12-3-4-15-18-16(14-2-1-6-20-14)13(19(15)9-12)8-11-5-7-21-10-11/h1-7,9-10H,8H2
InChIKeyMPFSIFRPGZMJHH-UHFFFAOYSA-N
XLogP5.01
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.25
LogP ≤ 55.01
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-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-(furan-2-yl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine (CID 51361283) is 6-bromo-2-(furan-2-yl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-(furan-2-yl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-(furan-2-yl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine is Brc1ccc2nc(-c3ccco3)c(Cc3ccsc3)n2c1.
What is the InChIKey of 6-bromo-2-(furan-2-yl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is MPFSIFRPGZMJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2OS/c17-12-3-4-15-18-16(14-2-1-6-20-14)13(19(15)9-12)8-11-5-7-21-10-11/h1-7,9-10H,8H2.
What are the key properties of 6-bromo-2-(furan-2-yl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
6-bromo-2-(furan-2-yl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 359.25 g/mol, XLogP of 5.01, 3 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-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 51361283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).