2-(2-pentan-3-ylbenzimidazol-1-yl)propanoic acid

C15H20N2O2 — CID 82144571

IUPAC2-(2-pentan-3-ylbenzimidazol-1-yl)propanoic acid
SMILESCCC(CC)c1nc2ccccc2n1C(C)C(=O)O
InChIInChI=1S/C15H20N2O2/c1-4-11(5-2)14-16-12-8-6-7-9-13(12)17(14)10(3)15(18)19/h6-11H,4-5H2,1-3H3,(H,18,19)
InChIKeyUHVBLNDNNPTJRD-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.59
Rot. Bonds5

About 2-(2-pentan-3-ylbenzimidazol-1-yl)propanoic acid

2-(2-pentan-3-ylbenzimidazol-1-yl)propanoic acid (PubChem CID 82144571) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(2-pentan-3-ylbenzimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-pentan-3-ylbenzimidazol-1-yl)propanoic acid
PubChem CID82144571
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(2-pentan-3-ylbenzimidazol-1-yl)propanoic acid
SMILESCCC(CC)c1nc2ccccc2n1C(C)C(=O)O
InChIInChI=1S/C15H20N2O2/c1-4-11(5-2)14-16-12-8-6-7-9-13(12)17(14)10(3)15(18)19/h6-11H,4-5H2,1-3H3,(H,18,19)
InChIKeyUHVBLNDNNPTJRD-UHFFFAOYSA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pentan-3-ylbenzimidazol-1-yl)propanoic acid?
The IUPAC name of 2-(2-pentan-3-ylbenzimidazol-1-yl)propanoic acid (CID 82144571) is 2-(2-pentan-3-ylbenzimidazol-1-yl)propanoic acid.
What is the SMILES notation for 2-(2-pentan-3-ylbenzimidazol-1-yl)propanoic acid?
The canonical SMILES for 2-(2-pentan-3-ylbenzimidazol-1-yl)propanoic acid is CCC(CC)c1nc2ccccc2n1C(C)C(=O)O.
What is the InChIKey of 2-(2-pentan-3-ylbenzimidazol-1-yl)propanoic acid?
The InChIKey is UHVBLNDNNPTJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-11(5-2)14-16-12-8-6-7-9-13(12)17(14)10(3)15(18)19/h6-11H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 2-(2-pentan-3-ylbenzimidazol-1-yl)propanoic acid?
2-(2-pentan-3-ylbenzimidazol-1-yl)propanoic acid has a molecular weight of 260.34 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pentan-3-ylbenzimidazol-1-yl)propanoic acid is sourced from PubChem (CID 82144571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).