3-[2-(2-methylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid

C14H14N4O2 — CID 62920129

IUPAC3-[2-(2-methylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid
SMILESCn1nccc1-c1nc2ccccc2n1CCC(=O)O
InChIInChI=1S/C14H14N4O2/c1-17-12(6-8-15-17)14-16-10-4-2-3-5-11(10)18(14)9-7-13(19)20/h2-6,8H,7,9H2,1H3,(H,19,20)
InChIKeyUUUBROYBICARIE-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.91
Rot. Bonds4

About 3-[2-(2-methylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid

3-[2-(2-methylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid (PubChem CID 62920129) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-[2-(2-methylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-methylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid
PubChem CID62920129
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name3-[2-(2-methylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid
SMILESCn1nccc1-c1nc2ccccc2n1CCC(=O)O
InChIInChI=1S/C14H14N4O2/c1-17-12(6-8-15-17)14-16-10-4-2-3-5-11(10)18(14)9-7-13(19)20/h2-6,8H,7,9H2,1H3,(H,19,20)
InChIKeyUUUBROYBICARIE-UHFFFAOYSA-N
XLogP1.91
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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

What is the IUPAC name of 3-[2-(2-methylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid?
The IUPAC name of 3-[2-(2-methylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid (CID 62920129) is 3-[2-(2-methylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[2-(2-methylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid?
The canonical SMILES for 3-[2-(2-methylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid is Cn1nccc1-c1nc2ccccc2n1CCC(=O)O.
What is the InChIKey of 3-[2-(2-methylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid?
The InChIKey is UUUBROYBICARIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-17-12(6-8-15-17)14-16-10-4-2-3-5-11(10)18(14)9-7-13(19)20/h2-6,8H,7,9H2,1H3,(H,19,20).
What are the key properties of 3-[2-(2-methylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid?
3-[2-(2-methylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid has a molecular weight of 270.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid is sourced from PubChem (CID 62920129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).