2-ethyl-3-[2-(2-hydroxyethoxy)ethyl]benzimidazole-5-carboxylic acid

C14H18N2O4 — CID 82791085

IUPAC2-ethyl-3-[2-(2-hydroxyethoxy)ethyl]benzimidazole-5-carboxylic acid
SMILESCCc1nc2ccc(C(=O)O)cc2n1CCOCCO
InChIInChI=1S/C14H18N2O4/c1-2-13-15-11-4-3-10(14(18)19)9-12(11)16(13)5-7-20-8-6-17/h3-4,9,17H,2,5-8H2,1H3,(H,18,19)
InChIKeyLUXVNEDVAPHRAP-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.31
Rot. Bonds7

About 2-ethyl-3-[2-(2-hydroxyethoxy)ethyl]benzimidazole-5-carboxylic acid

2-ethyl-3-[2-(2-hydroxyethoxy)ethyl]benzimidazole-5-carboxylic acid (PubChem CID 82791085) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-ethyl-3-[2-(2-hydroxyethoxy)ethyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-[2-(2-hydroxyethoxy)ethyl]benzimidazole-5-carboxylic acid
PubChem CID82791085
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-ethyl-3-[2-(2-hydroxyethoxy)ethyl]benzimidazole-5-carboxylic acid
SMILESCCc1nc2ccc(C(=O)O)cc2n1CCOCCO
InChIInChI=1S/C14H18N2O4/c1-2-13-15-11-4-3-10(14(18)19)9-12(11)16(13)5-7-20-8-6-17/h3-4,9,17H,2,5-8H2,1H3,(H,18,19)
InChIKeyLUXVNEDVAPHRAP-UHFFFAOYSA-N
XLogP1.31
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.31
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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[2-(2-hydroxyethoxy)ethyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 2-ethyl-3-[2-(2-hydroxyethoxy)ethyl]benzimidazole-5-carboxylic acid (CID 82791085) is 2-ethyl-3-[2-(2-hydroxyethoxy)ethyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-[2-(2-hydroxyethoxy)ethyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-ethyl-3-[2-(2-hydroxyethoxy)ethyl]benzimidazole-5-carboxylic acid is CCc1nc2ccc(C(=O)O)cc2n1CCOCCO.
What is the InChIKey of 2-ethyl-3-[2-(2-hydroxyethoxy)ethyl]benzimidazole-5-carboxylic acid?
The InChIKey is LUXVNEDVAPHRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-2-13-15-11-4-3-10(14(18)19)9-12(11)16(13)5-7-20-8-6-17/h3-4,9,17H,2,5-8H2,1H3,(H,18,19).
What are the key properties of 2-ethyl-3-[2-(2-hydroxyethoxy)ethyl]benzimidazole-5-carboxylic acid?
2-ethyl-3-[2-(2-hydroxyethoxy)ethyl]benzimidazole-5-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[2-(2-hydroxyethoxy)ethyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82791085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).