2-[2-(1H-pyrazol-4-yl)benzimidazol-1-yl]acetic acid

C12H10N4O2 — CID 63078726

IUPAC2-[2-(1H-pyrazol-4-yl)benzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1c(-c2cn[nH]c2)nc2ccccc21
InChIInChI=1S/C12H10N4O2/c17-11(18)7-16-10-4-2-1-3-9(10)15-12(16)8-5-13-14-6-8/h1-6H,7H2,(H,13,14)(H,17,18)
InChIKeyWJQYJSJXBQWDKQ-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.51
Rot. Bonds3

About 2-[2-(1H-pyrazol-4-yl)benzimidazol-1-yl]acetic acid

2-[2-(1H-pyrazol-4-yl)benzimidazol-1-yl]acetic acid (PubChem CID 63078726) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-[2-(1H-pyrazol-4-yl)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(1H-pyrazol-4-yl)benzimidazol-1-yl]acetic acid
PubChem CID63078726
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name2-[2-(1H-pyrazol-4-yl)benzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1c(-c2cn[nH]c2)nc2ccccc21
InChIInChI=1S/C12H10N4O2/c17-11(18)7-16-10-4-2-1-3-9(10)15-12(16)8-5-13-14-6-8/h1-6H,7H2,(H,13,14)(H,17,18)
InChIKeyWJQYJSJXBQWDKQ-UHFFFAOYSA-N
XLogP1.51
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
2-[2-(furan-3-yl)benzimidazol-1-yl]acetic acid
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2-[2-(2-methyl-4-pyridinyl)benzimidazol-1-yl]acetic acid
CID 106753326
2-[2-(4-nitrophenyl)benzimidazol-1-yl]acetic acid
CID 82144952
2-[2-[4-(3,5-dimethylphenoxy)phenyl]benzimidazol-1-yl]acetic acid
CID 22683212
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
2-[2-(2-methylphenyl)benzimidazol-1-yl]acetic acid
CID 43349122
2-[2-(4-bromo-3-chlorophenyl)benzimidazol-1-yl]acetic acid
CID 81291998
2-[2-[4-(2-methoxyphenoxy)phenyl]benzimidazol-1-yl]acetic acid
CID 22683022
2-[2-(5-methylthiophen-2-yl)benzimidazol-1-yl]acetic acid
CID 43168780
2-[2-[4-[3-(dimethylamino)propoxy]phenyl]benzimidazol-1-yl]acetic acid
CID 22684807
2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid
CID 20994244

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-pyrazol-4-yl)benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-(1H-pyrazol-4-yl)benzimidazol-1-yl]acetic acid (CID 63078726) is 2-[2-(1H-pyrazol-4-yl)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(1H-pyrazol-4-yl)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(1H-pyrazol-4-yl)benzimidazol-1-yl]acetic acid is O=C(O)Cn1c(-c2cn[nH]c2)nc2ccccc21.
What is the InChIKey of 2-[2-(1H-pyrazol-4-yl)benzimidazol-1-yl]acetic acid?
The InChIKey is WJQYJSJXBQWDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c17-11(18)7-16-10-4-2-1-3-9(10)15-12(16)8-5-13-14-6-8/h1-6H,7H2,(H,13,14)(H,17,18).
What are the key properties of 2-[2-(1H-pyrazol-4-yl)benzimidazol-1-yl]acetic acid?
2-[2-(1H-pyrazol-4-yl)benzimidazol-1-yl]acetic acid has a molecular weight of 242.24 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-pyrazol-4-yl)benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 63078726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).