6-bromo-3-(2,2-dimethylpropyl)-2-phenylimidazo[1,2-a]pyridine

C18H19BrN2 — CID 46904896

IUPAC6-bromo-3-(2,2-dimethylpropyl)-2-phenylimidazo[1,2-a]pyridine
SMILESCC(C)(C)Cc1c(-c2ccccc2)nc2ccc(Br)cn12
InChIInChI=1S/C18H19BrN2/c1-18(2,3)11-15-17(13-7-5-4-6-8-13)20-16-10-9-14(19)12-21(15)16/h4-10,12H,11H2,1-3H3
InChIKeyVPKQQQCWMBRDQX-UHFFFAOYSA-N
MW343.27 g/mol
LogP5.35
Rot. Bonds2

About 6-bromo-3-(2,2-dimethylpropyl)-2-phenylimidazo[1,2-a]pyridine

6-bromo-3-(2,2-dimethylpropyl)-2-phenylimidazo[1,2-a]pyridine (PubChem CID 46904896) has the molecular formula C18H19BrN2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 6-bromo-3-(2,2-dimethylpropyl)-2-phenylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-(2,2-dimethylpropyl)-2-phenylimidazo[1,2-a]pyridine
PubChem CID46904896
Molecular FormulaC18H19BrN2
Molecular Weight343.27 g/mol
Exact Mass342.07
IUPAC Name6-bromo-3-(2,2-dimethylpropyl)-2-phenylimidazo[1,2-a]pyridine
SMILESCC(C)(C)Cc1c(-c2ccccc2)nc2ccc(Br)cn12
InChIInChI=1S/C18H19BrN2/c1-18(2,3)11-15-17(13-7-5-4-6-8-13)20-16-10-9-14(19)12-21(15)16/h4-10,12H,11H2,1-3H3
InChIKeyVPKQQQCWMBRDQX-UHFFFAOYSA-N
XLogP5.35
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.27
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-bromo-3-(2,2-dimethylpropyl)-2-phenylimidazo[1,2-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2,2-dimethylpropyl)-2-phenylimidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-3-(2,2-dimethylpropyl)-2-phenylimidazo[1,2-a]pyridine (CID 46904896) is 6-bromo-3-(2,2-dimethylpropyl)-2-phenylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-3-(2,2-dimethylpropyl)-2-phenylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-3-(2,2-dimethylpropyl)-2-phenylimidazo[1,2-a]pyridine is CC(C)(C)Cc1c(-c2ccccc2)nc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-3-(2,2-dimethylpropyl)-2-phenylimidazo[1,2-a]pyridine?
The InChIKey is VPKQQQCWMBRDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2/c1-18(2,3)11-15-17(13-7-5-4-6-8-13)20-16-10-9-14(19)12-21(15)16/h4-10,12H,11H2,1-3H3.
What are the key properties of 6-bromo-3-(2,2-dimethylpropyl)-2-phenylimidazo[1,2-a]pyridine?
6-bromo-3-(2,2-dimethylpropyl)-2-phenylimidazo[1,2-a]pyridine has a molecular weight of 343.27 g/mol, XLogP of 5.35, 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-phenylimidazo[1,2-a]pyridine is sourced from PubChem (CID 46904896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).