6-bromo-3-[(3-fluorophenyl)methyl]-8-methyl-2-propylimidazo[1,2-a]pyridine

C18H18BrFN2 — CID 51359975

IUPAC6-bromo-3-[(3-fluorophenyl)methyl]-8-methyl-2-propylimidazo[1,2-a]pyridine
SMILESCCCc1nc2c(C)cc(Br)cn2c1Cc1cccc(F)c1
InChIInChI=1S/C18H18BrFN2/c1-3-5-16-17(10-13-6-4-7-15(20)9-13)22-11-14(19)8-12(2)18(22)21-16/h4,6-9,11H,3,5,10H2,1-2H3
InChIKeyNQCULMMFVNBKME-UHFFFAOYSA-N
MW361.26 g/mol
LogP5.09
Rot. Bonds4

About 6-bromo-3-[(3-fluorophenyl)methyl]-8-methyl-2-propylimidazo[1,2-a]pyridine

6-bromo-3-[(3-fluorophenyl)methyl]-8-methyl-2-propylimidazo[1,2-a]pyridine (PubChem CID 51359975) has the molecular formula C18H18BrFN2 and a molecular weight of 361.26 g/mol. Its IUPAC name is 6-bromo-3-[(3-fluorophenyl)methyl]-8-methyl-2-propylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-[(3-fluorophenyl)methyl]-8-methyl-2-propylimidazo[1,2-a]pyridine
PubChem CID51359975
Molecular FormulaC18H18BrFN2
Molecular Weight361.26 g/mol
Exact Mass360.06
IUPAC Name6-bromo-3-[(3-fluorophenyl)methyl]-8-methyl-2-propylimidazo[1,2-a]pyridine
SMILESCCCc1nc2c(C)cc(Br)cn2c1Cc1cccc(F)c1
InChIInChI=1S/C18H18BrFN2/c1-3-5-16-17(10-13-6-4-7-15(20)9-13)22-11-14(19)8-12(2)18(22)21-16/h4,6-9,11H,3,5,10H2,1-2H3
InChIKeyNQCULMMFVNBKME-UHFFFAOYSA-N
XLogP5.09
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.26
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(3-fluorophenyl)methyl]-8-methyl-2-propylimidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-3-[(3-fluorophenyl)methyl]-8-methyl-2-propylimidazo[1,2-a]pyridine (CID 51359975) is 6-bromo-3-[(3-fluorophenyl)methyl]-8-methyl-2-propylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-3-[(3-fluorophenyl)methyl]-8-methyl-2-propylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-3-[(3-fluorophenyl)methyl]-8-methyl-2-propylimidazo[1,2-a]pyridine is CCCc1nc2c(C)cc(Br)cn2c1Cc1cccc(F)c1.
What is the InChIKey of 6-bromo-3-[(3-fluorophenyl)methyl]-8-methyl-2-propylimidazo[1,2-a]pyridine?
The InChIKey is NQCULMMFVNBKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2/c1-3-5-16-17(10-13-6-4-7-15(20)9-13)22-11-14(19)8-12(2)18(22)21-16/h4,6-9,11H,3,5,10H2,1-2H3.
What are the key properties of 6-bromo-3-[(3-fluorophenyl)methyl]-8-methyl-2-propylimidazo[1,2-a]pyridine?
6-bromo-3-[(3-fluorophenyl)methyl]-8-methyl-2-propylimidazo[1,2-a]pyridine has a molecular weight of 361.26 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(3-fluorophenyl)methyl]-8-methyl-2-propylimidazo[1,2-a]pyridine is sourced from PubChem (CID 51359975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).