2-(methoxymethyl)-1-[3-(4-methylphenoxy)propyl]benzimidazole;hydrochloride

C19H23ClN2O2 — CID 44654062

IUPAC2-(methoxymethyl)-1-[3-(4-methylphenoxy)propyl]benzimidazole;hydrochloride
SMILESCOCc1nc2ccccc2n1CCCOc1ccc(C)cc1.Cl
InChIInChI=1S/C19H22N2O2.ClH/c1-15-8-10-16(11-9-15)23-13-5-12-21-18-7-4-3-6-17(18)20-19(21)14-22-2;/h3-4,6-11H,5,12-14H2,1-2H3;1H
InChIKeyZUJJSUVFWGBDGL-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.38
Rot. Bonds7

About 2-(methoxymethyl)-1-[3-(4-methylphenoxy)propyl]benzimidazole;hydrochloride

2-(methoxymethyl)-1-[3-(4-methylphenoxy)propyl]benzimidazole;hydrochloride (PubChem CID 44654062) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-[3-(4-methylphenoxy)propyl]benzimidazole;hydrochloride.

Molecular Properties

Compound Name2-(methoxymethyl)-1-[3-(4-methylphenoxy)propyl]benzimidazole;hydrochloride
PubChem CID44654062
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name2-(methoxymethyl)-1-[3-(4-methylphenoxy)propyl]benzimidazole;hydrochloride
SMILESCOCc1nc2ccccc2n1CCCOc1ccc(C)cc1.Cl
InChIInChI=1S/C19H22N2O2.ClH/c1-15-8-10-16(11-9-15)23-13-5-12-21-18-7-4-3-6-17(18)20-19(21)14-22-2;/h3-4,6-11H,5,12-14H2,1-2H3;1H
InChIKeyZUJJSUVFWGBDGL-UHFFFAOYSA-N
XLogP4.38
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852
2-(methoxymethyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 3287715
2-[(4-tert-butylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 3848445
2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 16998389
2-[(4-methylphenoxy)methyl]-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
CID 16998239
4-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]butan-1-amine
CID 94747495
1-[4-(4-butan-2-ylphenoxy)butyl]-2-(methoxymethyl)benzimidazole
CID 16996938
2-benzyl-1-[4-(4-methylphenoxy)butyl]benzimidazole
CID 18879081
1-[4-(4-methylphenoxy)butyl]-2-(2-methylpropyl)benzimidazole
CID 18879040
1-[2-(3,4-dimethylphenoxy)ethyl]-2-(methoxymethyl)benzimidazole
CID 16996918
2-[(4-chlorophenoxy)methyl]-1-[3-(3,5-dimethylphenoxy)propyl]benzimidazole
CID 16997111
1-[3-(2,3-dimethylphenoxy)propyl]-2-(methoxymethyl)benzimidazole
CID 16996898

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1-[3-(4-methylphenoxy)propyl]benzimidazole;hydrochloride?
The IUPAC name of 2-(methoxymethyl)-1-[3-(4-methylphenoxy)propyl]benzimidazole;hydrochloride (CID 44654062) is 2-(methoxymethyl)-1-[3-(4-methylphenoxy)propyl]benzimidazole;hydrochloride.
What is the SMILES notation for 2-(methoxymethyl)-1-[3-(4-methylphenoxy)propyl]benzimidazole;hydrochloride?
The canonical SMILES for 2-(methoxymethyl)-1-[3-(4-methylphenoxy)propyl]benzimidazole;hydrochloride is COCc1nc2ccccc2n1CCCOc1ccc(C)cc1.Cl.
What is the InChIKey of 2-(methoxymethyl)-1-[3-(4-methylphenoxy)propyl]benzimidazole;hydrochloride?
The InChIKey is ZUJJSUVFWGBDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.ClH/c1-15-8-10-16(11-9-15)23-13-5-12-21-18-7-4-3-6-17(18)20-19(21)14-22-2;/h3-4,6-11H,5,12-14H2,1-2H3;1H.
What are the key properties of 2-(methoxymethyl)-1-[3-(4-methylphenoxy)propyl]benzimidazole;hydrochloride?
2-(methoxymethyl)-1-[3-(4-methylphenoxy)propyl]benzimidazole;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1-[3-(4-methylphenoxy)propyl]benzimidazole;hydrochloride is sourced from PubChem (CID 44654062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).