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

C18H18BrFN2 — CID 46904898

IUPAC6-bromo-3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
SMILESCC(C)(C)Cc1c(-c2ccc(F)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C18H18BrFN2/c1-18(2,3)10-15-17(12-4-7-14(20)8-5-12)21-16-9-6-13(19)11-22(15)16/h4-9,11H,10H2,1-3H3
InChIKeyALDYXNMNNDAVSM-UHFFFAOYSA-N
MW361.26 g/mol
LogP5.49
Rot. Bonds2

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

6-bromo-3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine (PubChem CID 46904898) has the molecular formula C18H18BrFN2 and a molecular weight of 361.26 g/mol. Its IUPAC name is 6-bromo-3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
PubChem CID46904898
Molecular FormulaC18H18BrFN2
Molecular Weight361.26 g/mol
Exact Mass360.06
IUPAC Name6-bromo-3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
SMILESCC(C)(C)Cc1c(-c2ccc(F)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C18H18BrFN2/c1-18(2,3)10-15-17(12-4-7-14(20)8-5-12)21-16-9-6-13(19)11-22(15)16/h4-9,11H,10H2,1-3H3
InChIKeyALDYXNMNNDAVSM-UHFFFAOYSA-N
XLogP5.49
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.26
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine (CID 46904898) is 6-bromo-3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine is CC(C)(C)Cc1c(-c2ccc(F)cc2)nc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine?
The InChIKey is ALDYXNMNNDAVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2/c1-18(2,3)10-15-17(12-4-7-14(20)8-5-12)21-16-9-6-13(19)11-22(15)16/h4-9,11H,10H2,1-3H3.
What are the key properties of 6-bromo-3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine?
6-bromo-3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine has a molecular weight of 361.26 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 46904898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).