[2-(1-Methyl-1H-pyrazol-3-yl)-1H-benzimidazol-1-yl]acetic acid - CAS 1171565-50-6
Catalog: |
BB052665 |
Product Name: |
[2-(1-Methyl-1H-pyrazol-3-yl)-1H-benzimidazol-1-yl]acetic acid |
CAS: |
1171565-50-6 |
Synonyms: |
2-[2-(1-methyl-1H-pyrazol-3-yl)-1H-1,3-benzodiazol-1-yl]acetic acid; 2-(2-(1-Methyl-1H-pyrazol-3-yl)-1H-benzo[d]imidazol-1-yl)acetic acid; 2-[2-(1-methylpyrazol-3-yl)benzimidazolyl]acetic acid |
IUPAC Name: | 2-[2-(1-methylpyrazol-3-yl)benzimidazol-1-yl]acetic acid |
Molecular Weight: | 256.26 |
Molecular Formula: | C13H12N4O2 |
Canonical SMILES: | CN1C=CC(=N1)C2=NC3=CC=CC=C3N2CC(=O)O |
InChI: | InChI=1S/C13H12N4O2/c1-16-7-6-10(15-16)13-14-9-4-2-3-5-11(9)17(13)8-12(18)19/h2-7H,8H2,1H3,(H,18,19) |
InChI Key: | NWJLMPQODVXEPU-UHFFFAOYSA-N |
Boiling Point: | 541.0±56.0 °C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 352 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.09602564 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.09602564 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 72.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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