2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole-5-carboxylic acid

C16H20N2O3 — CID 43140489

IUPAC2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole-5-carboxylic acid
SMILESCCOCCCn1c(C2CC2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H20N2O3/c1-2-21-9-3-8-18-14-7-6-12(16(19)20)10-13(14)17-15(18)11-4-5-11/h6-7,10-11H,2-5,8-9H2,1H3,(H,19,20)
InChIKeyLJUOGXIEPSMVRU-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.04
Rot. Bonds7

About 2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole-5-carboxylic acid

2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole-5-carboxylic acid (PubChem CID 43140489) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole-5-carboxylic acid
PubChem CID43140489
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole-5-carboxylic acid
SMILESCCOCCCn1c(C2CC2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H20N2O3/c1-2-21-9-3-8-18-14-7-6-12(16(19)20)10-13(14)17-15(18)11-4-5-11/h6-7,10-11H,2-5,8-9H2,1H3,(H,19,20)
InChIKeyLJUOGXIEPSMVRU-UHFFFAOYSA-N
XLogP3.04
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-cyclopropyl-1-(3-ethoxypropyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole-5-carboxylic acid (CID 43140489) is 2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole-5-carboxylic acid is CCOCCCn1c(C2CC2)nc2cc(C(=O)O)ccc21.
What is the InChIKey of 2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole-5-carboxylic acid?
The InChIKey is LJUOGXIEPSMVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-21-9-3-8-18-14-7-6-12(16(19)20)10-13(14)17-15(18)11-4-5-11/h6-7,10-11H,2-5,8-9H2,1H3,(H,19,20).
What are the key properties of 2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole-5-carboxylic acid?
2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole-5-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 43140489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).