2-ethyl-1-[3-(2-hydroxyethoxy)propyl]benzimidazole-4-carboxylic acid

C15H20N2O4 — CID 106304934

IUPAC2-ethyl-1-[3-(2-hydroxyethoxy)propyl]benzimidazole-4-carboxylic acid
SMILESCCc1nc2c(C(=O)O)cccc2n1CCCOCCO
InChIInChI=1S/C15H20N2O4/c1-2-13-16-14-11(15(19)20)5-3-6-12(14)17(13)7-4-9-21-10-8-18/h3,5-6,18H,2,4,7-10H2,1H3,(H,19,20)
InChIKeyONUNLTBUZFTPNQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.70
Rot. Bonds8

About 2-ethyl-1-[3-(2-hydroxyethoxy)propyl]benzimidazole-4-carboxylic acid

2-ethyl-1-[3-(2-hydroxyethoxy)propyl]benzimidazole-4-carboxylic acid (PubChem CID 106304934) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-ethyl-1-[3-(2-hydroxyethoxy)propyl]benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[3-(2-hydroxyethoxy)propyl]benzimidazole-4-carboxylic acid
PubChem CID106304934
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-ethyl-1-[3-(2-hydroxyethoxy)propyl]benzimidazole-4-carboxylic acid
SMILESCCc1nc2c(C(=O)O)cccc2n1CCCOCCO
InChIInChI=1S/C15H20N2O4/c1-2-13-16-14-11(15(19)20)5-3-6-12(14)17(13)7-4-9-21-10-8-18/h3,5-6,18H,2,4,7-10H2,1H3,(H,19,20)
InChIKeyONUNLTBUZFTPNQ-UHFFFAOYSA-N
XLogP1.70
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
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-cyclopropylethyl)-2-ethylbenzimidazole-4-carboxylic acid
CID 115543805
1-(3-ethoxypropyl)-2-methylbenzimidazole-4-carboxylic acid
CID 113332181
2-ethyl-1-(3-hydroxy-2-methylpropyl)benzimidazole-4-carboxylic acid
CID 115543775
2-ethyl-1-(2-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid
CID 115543008
2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole-4-carboxylic acid
CID 106432165
1-(2,2-difluoroethyl)-2-ethylbenzimidazole-4-carboxylic acid
CID 113332333
2-tert-butyl-1-(3-methoxypropyl)benzimidazole-4-carboxylic acid
CID 115543023
1-(4-methylpentyl)-2-propylbenzimidazole-4-carboxylic acid
CID 115543581
1-(4-methoxybutyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115543377
2-ethyl-1-(3-propoxypropyl)benzimidazole-5-carboxylic acid
CID 82940831
2-ethyl-1-(1,2-oxazol-3-ylmethyl)benzimidazole-4-carboxylic acid
CID 115543951
2-ethyl-3-[2-(2-hydroxyethoxy)ethyl]benzimidazole-5-carboxylic acid
CID 82791085

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[3-(2-hydroxyethoxy)propyl]benzimidazole-4-carboxylic acid?
The IUPAC name of 2-ethyl-1-[3-(2-hydroxyethoxy)propyl]benzimidazole-4-carboxylic acid (CID 106304934) is 2-ethyl-1-[3-(2-hydroxyethoxy)propyl]benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[3-(2-hydroxyethoxy)propyl]benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[3-(2-hydroxyethoxy)propyl]benzimidazole-4-carboxylic acid is CCc1nc2c(C(=O)O)cccc2n1CCCOCCO.
What is the InChIKey of 2-ethyl-1-[3-(2-hydroxyethoxy)propyl]benzimidazole-4-carboxylic acid?
The InChIKey is ONUNLTBUZFTPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-13-16-14-11(15(19)20)5-3-6-12(14)17(13)7-4-9-21-10-8-18/h3,5-6,18H,2,4,7-10H2,1H3,(H,19,20).
What are the key properties of 2-ethyl-1-[3-(2-hydroxyethoxy)propyl]benzimidazole-4-carboxylic acid?
2-ethyl-1-[3-(2-hydroxyethoxy)propyl]benzimidazole-4-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[3-(2-hydroxyethoxy)propyl]benzimidazole-4-carboxylic acid is sourced from PubChem (CID 106304934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).