6-bromo-2-(2,4,4-trimethylpentyl)-1H-imidazo[4,5-b]pyridine

C14H20BrN3 — CID 55188420

IUPAC6-bromo-2-(2,4,4-trimethylpentyl)-1H-imidazo[4,5-b]pyridine
SMILESCC(Cc1nc2ncc(Br)cc2[nH]1)CC(C)(C)C
InChIInChI=1S/C14H20BrN3/c1-9(7-14(2,3)4)5-12-17-11-6-10(15)8-16-13(11)18-12/h6,8-9H,5,7H2,1-4H3,(H,16,17,18)
InChIKeyLGFNKYXTLFDEDM-UHFFFAOYSA-N
MW310.24 g/mol
LogP4.34
Rot. Bonds3

About 6-bromo-2-(2,4,4-trimethylpentyl)-1H-imidazo[4,5-b]pyridine

6-bromo-2-(2,4,4-trimethylpentyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 55188420) has the molecular formula C14H20BrN3 and a molecular weight of 310.24 g/mol. Its IUPAC name is 6-bromo-2-(2,4,4-trimethylpentyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(2,4,4-trimethylpentyl)-1H-imidazo[4,5-b]pyridine
PubChem CID55188420
Molecular FormulaC14H20BrN3
Molecular Weight310.24 g/mol
Exact Mass309.08
IUPAC Name6-bromo-2-(2,4,4-trimethylpentyl)-1H-imidazo[4,5-b]pyridine
SMILESCC(Cc1nc2ncc(Br)cc2[nH]1)CC(C)(C)C
InChIInChI=1S/C14H20BrN3/c1-9(7-14(2,3)4)5-12-17-11-6-10(15)8-16-13(11)18-12/h6,8-9H,5,7H2,1-4H3,(H,16,17,18)
InChIKeyLGFNKYXTLFDEDM-UHFFFAOYSA-N
XLogP4.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-2-(2,4,4-trimethylpentyl)-1H-imidazo[4,5-b]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-2-(2,4,4-trimethylpentyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(2,4,4-trimethylpentyl)-1H-imidazo[4,5-b]pyridine (CID 55188420) is 6-bromo-2-(2,4,4-trimethylpentyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(2,4,4-trimethylpentyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(2,4,4-trimethylpentyl)-1H-imidazo[4,5-b]pyridine is CC(Cc1nc2ncc(Br)cc2[nH]1)CC(C)(C)C.
What is the InChIKey of 6-bromo-2-(2,4,4-trimethylpentyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is LGFNKYXTLFDEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3/c1-9(7-14(2,3)4)5-12-17-11-6-10(15)8-16-13(11)18-12/h6,8-9H,5,7H2,1-4H3,(H,16,17,18).
What are the key properties of 6-bromo-2-(2,4,4-trimethylpentyl)-1H-imidazo[4,5-b]pyridine?
6-bromo-2-(2,4,4-trimethylpentyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 310.24 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2,4,4-trimethylpentyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 55188420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).