2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid

C13H16N2O2 — CID 3149718

IUPAC2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid
SMILESCC(C)c1nc2ccccc2n1C(C)C(=O)O
InChIInChI=1S/C13H16N2O2/c1-8(2)12-14-10-6-4-5-7-11(10)15(12)9(3)13(16)17/h4-9H,1-3H3,(H,16,17)
InChIKeyRJIDVTBWWMPEGE-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.81
Rot. Bonds3

About 2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid

2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid (PubChem CID 3149718) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid
PubChem CID3149718
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid
SMILESCC(C)c1nc2ccccc2n1C(C)C(=O)O
InChIInChI=1S/C13H16N2O2/c1-8(2)12-14-10-6-4-5-7-11(10)15(12)9(3)13(16)17/h4-9H,1-3H3,(H,16,17)
InChIKeyRJIDVTBWWMPEGE-UHFFFAOYSA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid?
The IUPAC name of 2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid (CID 3149718) is 2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid.
What is the SMILES notation for 2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid?
The canonical SMILES for 2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid is CC(C)c1nc2ccccc2n1C(C)C(=O)O.
What is the InChIKey of 2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid?
The InChIKey is RJIDVTBWWMPEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8(2)12-14-10-6-4-5-7-11(10)15(12)9(3)13(16)17/h4-9H,1-3H3,(H,16,17).
What are the key properties of 2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid?
2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid has a molecular weight of 232.28 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid is sourced from PubChem (CID 3149718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).