1-(1,5-dimethylpyrazol-3-yl)benzimidazole-5-carboxylic acid

C13H12N4O2 — CID 114253802

IUPAC1-(1,5-dimethylpyrazol-3-yl)benzimidazole-5-carboxylic acid
SMILESCc1cc(-n2cnc3cc(C(=O)O)ccc32)nn1C
InChIInChI=1S/C13H12N4O2/c1-8-5-12(15-16(8)2)17-7-14-10-6-9(13(18)19)3-4-11(10)17/h3-7H,1-2H3,(H,18,19)
InChIKeyPKVVFAHZGQQANY-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.77
Rot. Bonds2

About 1-(1,5-dimethylpyrazol-3-yl)benzimidazole-5-carboxylic acid

1-(1,5-dimethylpyrazol-3-yl)benzimidazole-5-carboxylic acid (PubChem CID 114253802) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-3-yl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-3-yl)benzimidazole-5-carboxylic acid
PubChem CID114253802
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC Name1-(1,5-dimethylpyrazol-3-yl)benzimidazole-5-carboxylic acid
SMILESCc1cc(-n2cnc3cc(C(=O)O)ccc32)nn1C
InChIInChI=1S/C13H12N4O2/c1-8-5-12(15-16(8)2)17-7-14-10-6-9(13(18)19)3-4-11(10)17/h3-7H,1-2H3,(H,18,19)
InChIKeyPKVVFAHZGQQANY-UHFFFAOYSA-N
XLogP1.77
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromo-4-methylphenyl)benzimidazole-5-carboxylic acid
CID 63547813
1-(2-bromo-4-methylphenyl)benzimidazole-5-carboxylic acid
CID 43566633
1-(5-bromo-2-methylphenyl)benzimidazole-5-carboxylic acid
CID 43806541
1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane
CID 143546276
1-(2,6-dichloro-4-fluorophenyl)benzimidazole-5-carboxylic acid
CID 83078714
1-(3-cyano-4-fluorophenyl)benzimidazole-5-carboxylic acid
CID 62315454
1-(2-propylphenyl)benzimidazole-5-carboxylic acid
CID 63549717
2-(1,5-dimethylpyrazol-4-yl)-1-methylbenzimidazole-5-carboxylic acid
CID 63892639
1-(3-chloro-5-fluorophenyl)benzimidazole-5-carboxylic acid
CID 107368788
1-methyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid
CID 63892433
1-(3,6-dihydro-2H-pyran-4-yl)benzimidazole-5-carboxylic acid
CID 130229154
1-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 43566681

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)benzimidazole-5-carboxylic acid (CID 114253802) is 1-(1,5-dimethylpyrazol-3-yl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-3-yl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(1,5-dimethylpyrazol-3-yl)benzimidazole-5-carboxylic acid is Cc1cc(-n2cnc3cc(C(=O)O)ccc32)nn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-3-yl)benzimidazole-5-carboxylic acid?
The InChIKey is PKVVFAHZGQQANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-8-5-12(15-16(8)2)17-7-14-10-6-9(13(18)19)3-4-11(10)17/h3-7H,1-2H3,(H,18,19).
What are the key properties of 1-(1,5-dimethylpyrazol-3-yl)benzimidazole-5-carboxylic acid?
1-(1,5-dimethylpyrazol-3-yl)benzimidazole-5-carboxylic acid has a molecular weight of 256.27 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-3-yl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 114253802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).