6-fluoro-2-(1-methylpyrazol-3-yl)-1H-benzimidazole-4-carboxylic acid

C12H9FN4O2 — CID 136948243

IUPAC6-fluoro-2-(1-methylpyrazol-3-yl)-1H-benzimidazole-4-carboxylic acid
SMILESCn1ccc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)n1
InChIInChI=1S/C12H9FN4O2/c1-17-3-2-8(16-17)11-14-9-5-6(13)4-7(12(18)19)10(9)15-11/h2-5H,1H3,(H,14,15)(H,18,19)
InChIKeyKJHRDQBYNVCGQB-UHFFFAOYSA-N
MW260.23 g/mol
LogP1.80
Rot. Bonds2

About 6-fluoro-2-(1-methylpyrazol-3-yl)-1H-benzimidazole-4-carboxylic acid

6-fluoro-2-(1-methylpyrazol-3-yl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 136948243) has the molecular formula C12H9FN4O2 and a molecular weight of 260.23 g/mol. Its IUPAC name is 6-fluoro-2-(1-methylpyrazol-3-yl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-(1-methylpyrazol-3-yl)-1H-benzimidazole-4-carboxylic acid
PubChem CID136948243
Molecular FormulaC12H9FN4O2
Molecular Weight260.23 g/mol
Exact Mass260.07
IUPAC Name6-fluoro-2-(1-methylpyrazol-3-yl)-1H-benzimidazole-4-carboxylic acid
SMILESCn1ccc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)n1
InChIInChI=1S/C12H9FN4O2/c1-17-3-2-8(16-17)11-14-9-5-6(13)4-7(12(18)19)10(9)15-11/h2-5H,1H3,(H,14,15)(H,18,19)
InChIKeyKJHRDQBYNVCGQB-UHFFFAOYSA-N
XLogP1.80
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-2-(3-fluoro-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 103436169
2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103435825
2-(5-ethylfuran-2-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103436113
2-(2-bromo-4-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103436100
6-fluoro-2-(5-iodothiophen-3-yl)-1H-benzimidazole-4-carboxylic acid
CID 103436055
2-(4-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103436111
2-(2,4-dimethyl-1,3-oxazol-5-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103435917
6-fluoro-2-(4-methyl-1,3-oxazol-5-yl)-1H-benzimidazole-4-carboxylic acid
CID 103436255
2-(5-bromo-2-chlorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103435950
6-fluoro-2-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxylic acid
CID 103435877
6-methyl-2-(4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 91318855
2-(1-methylpyrazol-3-yl)-1H-benzimidazol-4-amine
CID 136785799

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(1-methylpyrazol-3-yl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 6-fluoro-2-(1-methylpyrazol-3-yl)-1H-benzimidazole-4-carboxylic acid (CID 136948243) is 6-fluoro-2-(1-methylpyrazol-3-yl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-(1-methylpyrazol-3-yl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 6-fluoro-2-(1-methylpyrazol-3-yl)-1H-benzimidazole-4-carboxylic acid is Cn1ccc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)n1.
What is the InChIKey of 6-fluoro-2-(1-methylpyrazol-3-yl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is KJHRDQBYNVCGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O2/c1-17-3-2-8(16-17)11-14-9-5-6(13)4-7(12(18)19)10(9)15-11/h2-5H,1H3,(H,14,15)(H,18,19).
What are the key properties of 6-fluoro-2-(1-methylpyrazol-3-yl)-1H-benzimidazole-4-carboxylic acid?
6-fluoro-2-(1-methylpyrazol-3-yl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 260.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(1-methylpyrazol-3-yl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 136948243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).