2-(2-pentoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride

C17H20ClN3O — CID 45259699

IUPAC2-(2-pentoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride
SMILESCCCCCOc1ccccc1-c1nc2ccncc2[nH]1.Cl
InChIInChI=1S/C17H19N3O.ClH/c1-2-3-6-11-21-16-8-5-4-7-13(16)17-19-14-9-10-18-12-15(14)20-17;/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,19,20);1H
InChIKeyGNCSJISFJQYVFC-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.62
Rot. Bonds6

About 2-(2-pentoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride

2-(2-pentoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride (PubChem CID 45259699) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-(2-pentoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride.

Molecular Properties

Compound Name2-(2-pentoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride
PubChem CID45259699
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name2-(2-pentoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride
SMILESCCCCCOc1ccccc1-c1nc2ccncc2[nH]1.Cl
InChIInChI=1S/C17H19N3O.ClH/c1-2-3-6-11-21-16-8-5-4-7-13(16)17-19-14-9-10-18-12-15(14)20-17;/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,19,20);1H
InChIKeyGNCSJISFJQYVFC-UHFFFAOYSA-N
XLogP4.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pentoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride?
The IUPAC name of 2-(2-pentoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride (CID 45259699) is 2-(2-pentoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride.
What is the SMILES notation for 2-(2-pentoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride?
The canonical SMILES for 2-(2-pentoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride is CCCCCOc1ccccc1-c1nc2ccncc2[nH]1.Cl.
What is the InChIKey of 2-(2-pentoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride?
The InChIKey is GNCSJISFJQYVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O.ClH/c1-2-3-6-11-21-16-8-5-4-7-13(16)17-19-14-9-10-18-12-15(14)20-17;/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,19,20);1H.
What are the key properties of 2-(2-pentoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride?
2-(2-pentoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride has a molecular weight of 317.82 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pentoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride is sourced from PubChem (CID 45259699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).