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

C19H22N2O2 — CID 3287715

IUPAC2-(methoxymethyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole
SMILESCOCc1nc2ccccc2n1CCCOc1cccc(C)c1
InChIInChI=1S/C19H22N2O2/c1-15-7-5-8-16(13-15)23-12-6-11-21-18-10-4-3-9-17(18)20-19(21)14-22-2/h3-5,7-10,13H,6,11-12,14H2,1-2H3
InChIKeyUNRKJPWETNDJDV-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.96
Rot. Bonds7

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

2-(methoxymethyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole (PubChem CID 3287715) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole.

Molecular Properties

Compound Name2-(methoxymethyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole
PubChem CID3287715
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-(methoxymethyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole
SMILESCOCc1nc2ccccc2n1CCCOc1cccc(C)c1
InChIInChI=1S/C19H22N2O2/c1-15-7-5-8-16(13-15)23-12-6-11-21-18-10-4-3-9-17(18)20-19(21)14-22-2/h3-5,7-10,13H,6,11-12,14H2,1-2H3
InChIKeyUNRKJPWETNDJDV-UHFFFAOYSA-N
XLogP3.96
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.96
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-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997947
1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997881
2-(methoxymethyl)-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16996931
1-[3-(3-methylphenoxy)propyl]-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 16999387
2-(methoxymethyl)-1-[3-(4-methylphenoxy)propyl]benzimidazole;hydrochloride
CID 44654062
1-[3-(4-ethylphenoxy)propyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997919
2-[(2,4-dichlorophenoxy)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 16997219
2-[(3-methylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16997901
2-[(4-chlorophenyl)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 18878460
2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16997088
1-[2-(3,4-dimethylphenoxy)ethyl]-2-(methoxymethyl)benzimidazole
CID 16996918
1-[3-(2,5-dimethylphenoxy)propyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole
CID 16998119

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole?
The IUPAC name of 2-(methoxymethyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole (CID 3287715) is 2-(methoxymethyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole.
What is the SMILES notation for 2-(methoxymethyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole?
The canonical SMILES for 2-(methoxymethyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole is COCc1nc2ccccc2n1CCCOc1cccc(C)c1.
What is the InChIKey of 2-(methoxymethyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole?
The InChIKey is UNRKJPWETNDJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-15-7-5-8-16(13-15)23-12-6-11-21-18-10-4-3-9-17(18)20-19(21)14-22-2/h3-5,7-10,13H,6,11-12,14H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole?
2-(methoxymethyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole has a molecular weight of 310.40 g/mol, XLogP of 3.96, 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-(3-methylphenoxy)propyl]benzimidazole is sourced from PubChem (CID 3287715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).