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

C16H18ClN3O — CID 13450790

IUPAC2-(4-butoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride
SMILESCCCCOc1ccc(-c2nc3ccncc3[nH]2)cc1.Cl
InChIInChI=1S/C16H17N3O.ClH/c1-2-3-10-20-13-6-4-12(5-7-13)16-18-14-8-9-17-11-15(14)19-16;/h4-9,11H,2-3,10H2,1H3,(H,18,19);1H
InChIKeyWAGYFFFHZNZAIZ-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.23
Rot. Bonds5

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

2-(4-butoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride (PubChem CID 13450790) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride
PubChem CID13450790
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-(4-butoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride
SMILESCCCCOc1ccc(-c2nc3ccncc3[nH]2)cc1.Cl
InChIInChI=1S/C16H17N3O.ClH/c1-2-3-10-20-13-6-4-12(5-7-13)16-18-14-8-9-17-11-15(14)19-16;/h4-9,11H,2-3,10H2,1H3,(H,18,19);1H
InChIKeyWAGYFFFHZNZAIZ-UHFFFAOYSA-N
XLogP4.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-butoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-propylsulfanylphenyl)-3H-imidazo[4,5-c]pyridine
CID 19821990
2-(2-pentoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride
CID 45259699
2-[4-(4-dodecoxyphenyl)phenyl]-6-methyl-1H-benzimidazole
CID 102447965
2-[4-[6-[4-(1H-benzimidazol-2-yl)phenoxy]hexoxy]phenyl]-1H-benzimidazole
CID 25255576
2-[4-[10-[4-(1H-benzimidazol-2-yl)phenoxy]decoxy]phenyl]-1H-benzimidazole
CID 56656183
2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 24900492
3-[4-(1H-benzimidazol-2-yl)phenoxy]-N,N-diethylpropan-1-amine
CID 19938404
6-ethoxy-2-pyridin-4-yl-1H-benzimidazole
CID 12855474
2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole
CID 168553496
2-[2-[3-(3,4-dichlorophenoxy)propoxy]phenyl]-3H-imidazo[4,5-c]pyridine
CID 19864797
4-(6-propoxy-1H-benzimidazol-2-yl)aniline
CID 82331892
2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile
CID 19821941

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride?
The IUPAC name of 2-(4-butoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride (CID 13450790) is 2-(4-butoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride.
What is the SMILES notation for 2-(4-butoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride?
The canonical SMILES for 2-(4-butoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride is CCCCOc1ccc(-c2nc3ccncc3[nH]2)cc1.Cl.
What is the InChIKey of 2-(4-butoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride?
The InChIKey is WAGYFFFHZNZAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O.ClH/c1-2-3-10-20-13-6-4-12(5-7-13)16-18-14-8-9-17-11-15(14)19-16;/h4-9,11H,2-3,10H2,1H3,(H,18,19);1H.
What are the key properties of 2-(4-butoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride?
2-(4-butoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride has a molecular weight of 303.79 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride is sourced from PubChem (CID 13450790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).