2-(methoxymethyl)-1-[4-(3-methoxyphenoxy)butyl]benzimidazole

C20H24N2O3 — CID 16996931

IUPAC2-(methoxymethyl)-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
SMILESCOCc1nc2ccccc2n1CCCCOc1cccc(OC)c1
InChIInChI=1S/C20H24N2O3/c1-23-15-20-21-18-10-3-4-11-19(18)22(20)12-5-6-13-25-17-9-7-8-16(14-17)24-2/h3-4,7-11,14H,5-6,12-13,15H2,1-2H3
InChIKeyTVLMBVKGSPJOKN-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.05
Rot. Bonds9

About 2-(methoxymethyl)-1-[4-(3-methoxyphenoxy)butyl]benzimidazole

2-(methoxymethyl)-1-[4-(3-methoxyphenoxy)butyl]benzimidazole (PubChem CID 16996931) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-[4-(3-methoxyphenoxy)butyl]benzimidazole.

Molecular Properties

Compound Name2-(methoxymethyl)-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
PubChem CID16996931
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-(methoxymethyl)-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
SMILESCOCc1nc2ccccc2n1CCCCOc1cccc(OC)c1
InChIInChI=1S/C20H24N2O3/c1-23-15-20-21-18-10-3-4-11-19(18)22(20)12-5-6-13-25-17-9-7-8-16(14-17)24-2/h3-4,7-11,14H,5-6,12-13,15H2,1-2H3
InChIKeyTVLMBVKGSPJOKN-UHFFFAOYSA-N
XLogP4.05
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997784
2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol
CID 19242415
2-(methoxymethyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 3287715
2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16996440
2-[(2,5-dimethylphenoxy)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16998028
2-[(2-chlorophenyl)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16995769
1-[4-(3-methoxyphenoxy)butyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole
CID 16997655
N-[2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974210
1-[3-(3-methoxyphenoxy)propyl]-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996152
1-[3-(2,5-dimethylphenoxy)propyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole
CID 16998119
2-cyclopropyl-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16996713
2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16997524

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1-[4-(3-methoxyphenoxy)butyl]benzimidazole?
The IUPAC name of 2-(methoxymethyl)-1-[4-(3-methoxyphenoxy)butyl]benzimidazole (CID 16996931) is 2-(methoxymethyl)-1-[4-(3-methoxyphenoxy)butyl]benzimidazole.
What is the SMILES notation for 2-(methoxymethyl)-1-[4-(3-methoxyphenoxy)butyl]benzimidazole?
The canonical SMILES for 2-(methoxymethyl)-1-[4-(3-methoxyphenoxy)butyl]benzimidazole is COCc1nc2ccccc2n1CCCCOc1cccc(OC)c1.
What is the InChIKey of 2-(methoxymethyl)-1-[4-(3-methoxyphenoxy)butyl]benzimidazole?
The InChIKey is TVLMBVKGSPJOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-23-15-20-21-18-10-3-4-11-19(18)22(20)12-5-6-13-25-17-9-7-8-16(14-17)24-2/h3-4,7-11,14H,5-6,12-13,15H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-1-[4-(3-methoxyphenoxy)butyl]benzimidazole?
2-(methoxymethyl)-1-[4-(3-methoxyphenoxy)butyl]benzimidazole has a molecular weight of 340.42 g/mol, XLogP of 4.05, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1-[4-(3-methoxyphenoxy)butyl]benzimidazole is sourced from PubChem (CID 16996931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).