6-bromo-2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine

C18H12BrFN2S — CID 51361262

IUPAC6-bromo-2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccsc2)cc1
InChIInChI=1S/C18H12BrFN2S/c19-14-3-6-17-21-18(13-1-4-15(20)5-2-13)16(22(17)10-14)9-12-7-8-23-11-12/h1-8,10-11H,9H2
InChIKeyIMXYDTMMTLPMDN-UHFFFAOYSA-N
MW387.28 g/mol
LogP5.56
Rot. Bonds3

About 6-bromo-2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine

6-bromo-2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 51361262) has the molecular formula C18H12BrFN2S and a molecular weight of 387.28 g/mol. Its IUPAC name is 6-bromo-2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID51361262
Molecular FormulaC18H12BrFN2S
Molecular Weight387.28 g/mol
Exact Mass385.99
IUPAC Name6-bromo-2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccsc2)cc1
InChIInChI=1S/C18H12BrFN2S/c19-14-3-6-17-21-18(13-1-4-15(20)5-2-13)16(22(17)10-14)9-12-7-8-23-11-12/h1-8,10-11H,9H2
InChIKeyIMXYDTMMTLPMDN-UHFFFAOYSA-N
XLogP5.56
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.28
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine (CID 51361262) is 6-bromo-2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine is Fc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccsc2)cc1.
What is the InChIKey of 6-bromo-2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is IMXYDTMMTLPMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrFN2S/c19-14-3-6-17-21-18(13-1-4-15(20)5-2-13)16(22(17)10-14)9-12-7-8-23-11-12/h1-8,10-11H,9H2.
What are the key properties of 6-bromo-2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
6-bromo-2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 387.28 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 51361262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).