3-[2-(2,5-dimethylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid

C15H16N4O2 — CID 66126700

IUPAC3-[2-(2,5-dimethylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid
SMILESCc1cc(-c2nc3ccccc3n2CCC(=O)O)n(C)n1
InChIInChI=1S/C15H16N4O2/c1-10-9-13(18(2)17-10)15-16-11-5-3-4-6-12(11)19(15)8-7-14(20)21/h3-6,9H,7-8H2,1-2H3,(H,20,21)
InChIKeyJPGNYTFISKGXJM-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.22
Rot. Bonds4

About 3-[2-(2,5-dimethylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid

3-[2-(2,5-dimethylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid (PubChem CID 66126700) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-[2-(2,5-dimethylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2,5-dimethylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid
PubChem CID66126700
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-[2-(2,5-dimethylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid
SMILESCc1cc(-c2nc3ccccc3n2CCC(=O)O)n(C)n1
InChIInChI=1S/C15H16N4O2/c1-10-9-13(18(2)17-10)15-16-11-5-3-4-6-12(11)19(15)8-7-14(20)21/h3-6,9H,7-8H2,1-2H3,(H,20,21)
InChIKeyJPGNYTFISKGXJM-UHFFFAOYSA-N
XLogP2.22
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid?
The IUPAC name of 3-[2-(2,5-dimethylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid (CID 66126700) is 3-[2-(2,5-dimethylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[2-(2,5-dimethylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid?
The canonical SMILES for 3-[2-(2,5-dimethylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid is Cc1cc(-c2nc3ccccc3n2CCC(=O)O)n(C)n1.
What is the InChIKey of 3-[2-(2,5-dimethylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid?
The InChIKey is JPGNYTFISKGXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10-9-13(18(2)17-10)15-16-11-5-3-4-6-12(11)19(15)8-7-14(20)21/h3-6,9H,7-8H2,1-2H3,(H,20,21).
What are the key properties of 3-[2-(2,5-dimethylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid?
3-[2-(2,5-dimethylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid has a molecular weight of 284.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid is sourced from PubChem (CID 66126700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).