3-bromo-2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine

C15H16BrFN2 — CID 58179009

IUPAC3-bromo-2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine
SMILESCC1(C)CCCc2nc(-c3cccc(F)c3)c(Br)n21
InChIInChI=1S/C15H16BrFN2/c1-15(2)8-4-7-12-18-13(14(16)19(12)15)10-5-3-6-11(17)9-10/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyHWUZVXWSOFLVAH-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.52
Rot. Bonds1

About 3-bromo-2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine

3-bromo-2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine (PubChem CID 58179009) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 3-bromo-2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-bromo-2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine
PubChem CID58179009
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name3-bromo-2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine
SMILESCC1(C)CCCc2nc(-c3cccc(F)c3)c(Br)n21
InChIInChI=1S/C15H16BrFN2/c1-15(2)8-4-7-12-18-13(14(16)19(12)15)10-5-3-6-11(17)9-10/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyHWUZVXWSOFLVAH-UHFFFAOYSA-N
XLogP4.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine?
The IUPAC name of 3-bromo-2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine (CID 58179009) is 3-bromo-2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-bromo-2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine?
The canonical SMILES for 3-bromo-2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine is CC1(C)CCCc2nc(-c3cccc(F)c3)c(Br)n21.
What is the InChIKey of 3-bromo-2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine?
The InChIKey is HWUZVXWSOFLVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-15(2)8-4-7-12-18-13(14(16)19(12)15)10-5-3-6-11(17)9-10/h3,5-6,9H,4,7-8H2,1-2H3.
What are the key properties of 3-bromo-2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine?
3-bromo-2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine has a molecular weight of 323.21 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine is sourced from PubChem (CID 58179009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).