1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxylic acid

C19H20N2O4 — CID 46309221

IUPAC1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxylic acid
SMILESCCOCCn1c(COc2ccccc2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C19H20N2O4/c1-2-24-11-10-21-17-9-8-14(19(22)23)12-16(17)20-18(21)13-25-15-6-4-3-5-7-15/h3-9,12H,2,10-11,13H2,1H3,(H,22,23)
InChIKeyUJMOVRDGRHQAAI-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.35
Rot. Bonds8

About 1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxylic acid

1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxylic acid (PubChem CID 46309221) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxylic acid
PubChem CID46309221
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxylic acid
SMILESCCOCCn1c(COc2ccccc2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C19H20N2O4/c1-2-24-11-10-21-17-9-8-14(19(22)23)12-16(17)20-18(21)13-25-15-6-4-3-5-7-15/h3-9,12H,2,10-11,13H2,1H3,(H,22,23)
InChIKeyUJMOVRDGRHQAAI-UHFFFAOYSA-N
XLogP3.35
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 3326466
2-butan-2-yl-1-(2-ethoxyethyl)benzimidazole-5-carboxylic acid
CID 46309219
2-[[4-(chloromethyl)phenoxy]methyl]-1-(2-ethoxyethyl)benzimidazole
CID 70113912
2-ethyl-1-(3-propoxypropyl)benzimidazole-5-carboxylic acid
CID 82940831
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
1-(2-ethoxyethyl)-2-(oxolan-2-yl)benzimidazole-5-carboxylic acid
CID 46309230
1-(3-ethoxypropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322914
2-[(2,3-dimethylphenoxy)methyl]-1-(3-methoxypropyl)benzimidazole-5-carboxylic acid
CID 46308548
2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole-5-carboxylic acid
CID 43140489
ethyl 2-[(4-tert-butylphenoxy)methyl]-1-ethylbenzimidazole-5-carboxylate
CID 4291889
1-(3-ethoxypropyl)-2-(naphthalen-2-yloxymethyl)-5-(trifluoromethyl)benzimidazole
CID 46308658
2-ethyl-3-[2-(2-hydroxyethoxy)ethyl]benzimidazole-5-carboxylic acid
CID 82791085

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxylic acid (CID 46309221) is 1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxylic acid is CCOCCn1c(COc2ccccc2)nc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxylic acid?
The InChIKey is UJMOVRDGRHQAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-24-11-10-21-17-9-8-14(19(22)23)12-16(17)20-18(21)13-25-15-6-4-3-5-7-15/h3-9,12H,2,10-11,13H2,1H3,(H,22,23).
What are the key properties of 1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxylic acid?
1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 46309221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).