2-[2-(3-chloropropoxy)phenyl]-1H-imidazo[4,5-b]pyridine

C15H14ClN3O — CID 10401818

IUPAC2-[2-(3-chloropropoxy)phenyl]-1H-imidazo[4,5-b]pyridine
SMILESClCCCOc1ccccc1-c1nc2ncccc2[nH]1
InChIInChI=1S/C15H14ClN3O/c16-8-4-10-20-13-7-2-1-5-11(13)14-18-12-6-3-9-17-15(12)19-14/h1-3,5-7,9H,4,8,10H2,(H,17,18,19)
InChIKeyUJRNYHKHPUWWMJ-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.63
Rot. Bonds5

About 2-[2-(3-chloropropoxy)phenyl]-1H-imidazo[4,5-b]pyridine

2-[2-(3-chloropropoxy)phenyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 10401818) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-[2-(3-chloropropoxy)phenyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[2-(3-chloropropoxy)phenyl]-1H-imidazo[4,5-b]pyridine
PubChem CID10401818
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name2-[2-(3-chloropropoxy)phenyl]-1H-imidazo[4,5-b]pyridine
SMILESClCCCOc1ccccc1-c1nc2ncccc2[nH]1
InChIInChI=1S/C15H14ClN3O/c16-8-4-10-20-13-7-2-1-5-11(13)14-18-12-6-3-9-17-15(12)19-14/h1-3,5-7,9H,4,8,10H2,(H,17,18,19)
InChIKeyUJRNYHKHPUWWMJ-UHFFFAOYSA-N
XLogP3.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-[2-(3-chloropropoxy)phenyl]-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 2-[2-(3-chloropropoxy)phenyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[2-(3-chloropropoxy)phenyl]-1H-imidazo[4,5-b]pyridine (CID 10401818) is 2-[2-(3-chloropropoxy)phenyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[2-(3-chloropropoxy)phenyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[2-(3-chloropropoxy)phenyl]-1H-imidazo[4,5-b]pyridine is ClCCCOc1ccccc1-c1nc2ncccc2[nH]1.
What is the InChIKey of 2-[2-(3-chloropropoxy)phenyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is UJRNYHKHPUWWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c16-8-4-10-20-13-7-2-1-5-11(13)14-18-12-6-3-9-17-15(12)19-14/h1-3,5-7,9H,4,8,10H2,(H,17,18,19).
What are the key properties of 2-[2-(3-chloropropoxy)phenyl]-1H-imidazo[4,5-b]pyridine?
2-[2-(3-chloropropoxy)phenyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 287.75 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloropropoxy)phenyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 10401818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).