5-[(2-propyl-3H-benzimidazol-5-yl)oxy]pentanoic acid

C15H20N2O3 — CID 84816306

IUPAC5-[(2-propyl-3H-benzimidazol-5-yl)oxy]pentanoic acid
SMILESCCCc1nc2ccc(OCCCCC(=O)O)cc2[nH]1
InChIInChI=1S/C15H20N2O3/c1-2-5-14-16-12-8-7-11(10-13(12)17-14)20-9-4-3-6-15(18)19/h7-8,10H,2-6,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyWEYNBTWILNQPJL-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.15
Rot. Bonds8

About 5-[(2-propyl-3H-benzimidazol-5-yl)oxy]pentanoic acid

5-[(2-propyl-3H-benzimidazol-5-yl)oxy]pentanoic acid (PubChem CID 84816306) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-[(2-propyl-3H-benzimidazol-5-yl)oxy]pentanoic acid.

Molecular Properties

Compound Name5-[(2-propyl-3H-benzimidazol-5-yl)oxy]pentanoic acid
PubChem CID84816306
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name5-[(2-propyl-3H-benzimidazol-5-yl)oxy]pentanoic acid
SMILESCCCc1nc2ccc(OCCCCC(=O)O)cc2[nH]1
InChIInChI=1S/C15H20N2O3/c1-2-5-14-16-12-8-7-11(10-13(12)17-14)20-9-4-3-6-15(18)19/h7-8,10H,2-6,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyWEYNBTWILNQPJL-UHFFFAOYSA-N
XLogP3.15
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-[(2-propyl-3H-benzimidazol-5-yl)oxy]pentanoic acid?
The IUPAC name of 5-[(2-propyl-3H-benzimidazol-5-yl)oxy]pentanoic acid (CID 84816306) is 5-[(2-propyl-3H-benzimidazol-5-yl)oxy]pentanoic acid.
What is the SMILES notation for 5-[(2-propyl-3H-benzimidazol-5-yl)oxy]pentanoic acid?
The canonical SMILES for 5-[(2-propyl-3H-benzimidazol-5-yl)oxy]pentanoic acid is CCCc1nc2ccc(OCCCCC(=O)O)cc2[nH]1.
What is the InChIKey of 5-[(2-propyl-3H-benzimidazol-5-yl)oxy]pentanoic acid?
The InChIKey is WEYNBTWILNQPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-5-14-16-12-8-7-11(10-13(12)17-14)20-9-4-3-6-15(18)19/h7-8,10H,2-6,9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(2-propyl-3H-benzimidazol-5-yl)oxy]pentanoic acid?
5-[(2-propyl-3H-benzimidazol-5-yl)oxy]pentanoic acid has a molecular weight of 276.34 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propyl-3H-benzimidazol-5-yl)oxy]pentanoic acid is sourced from PubChem (CID 84816306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).