1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole

C18H20N2O2 — CID 3326466

IUPAC1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole
SMILESCCOCCn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-2-21-13-12-20-17-11-7-6-10-16(17)19-18(20)14-22-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3
InChIKeyKDTWEOKINZTFPX-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.65
Rot. Bonds7

About 1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole

1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole (PubChem CID 3326466) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole
PubChem CID3326466
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole
SMILESCCOCCn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-2-21-13-12-20-17-11-7-6-10-16(17)19-18(20)14-22-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3
InChIKeyKDTWEOKINZTFPX-UHFFFAOYSA-N
XLogP3.65
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.65
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

2-[[4-(chloromethyl)phenoxy]methyl]-1-(2-ethoxyethyl)benzimidazole
CID 70113912
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxylic acid
CID 46309221
2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine
CID 28752967
1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852
1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole
CID 16998482
4-[2-(phenoxymethyl)benzimidazol-1-yl]butan-1-amine
CID 82144770
1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997881
1-benzyl-2-(phenoxymethyl)benzimidazole
CID 712249
1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole
CID 139007627
4-[2-(phenoxymethyl)benzimidazol-1-yl]butanenitrile
CID 82150424
2-(phenoxymethyl)-1-(2-piperidin-1-ylethyl)benzimidazole
CID 112828549

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole?
The IUPAC name of 1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole (CID 3326466) is 1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole.
What is the SMILES notation for 1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole?
The canonical SMILES for 1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole is CCOCCn1c(COc2ccccc2)nc2ccccc21.
What is the InChIKey of 1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole?
The InChIKey is KDTWEOKINZTFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-2-21-13-12-20-17-11-7-6-10-16(17)19-18(20)14-22-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3.
What are the key properties of 1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole?
1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole has a molecular weight of 296.37 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole is sourced from PubChem (CID 3326466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).