7-fluoro-2-methyl-3H-benzimidazole-5-carboxylic acid

C9H7FN2O2 — CID 58252507

IUPAC7-fluoro-2-methyl-3H-benzimidazole-5-carboxylic acid
SMILESCc1nc2c(F)cc(C(=O)O)cc2[nH]1
InChIInChI=1S/C9H7FN2O2/c1-4-11-7-3-5(9(13)14)2-6(10)8(7)12-4/h2-3H,1H3,(H,11,12)(H,13,14)
InChIKeyKLOJQRYVWHRTCV-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.71
Rot. Bonds1

About 7-fluoro-2-methyl-3H-benzimidazole-5-carboxylic acid

7-fluoro-2-methyl-3H-benzimidazole-5-carboxylic acid (PubChem CID 58252507) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is 7-fluoro-2-methyl-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-2-methyl-3H-benzimidazole-5-carboxylic acid
PubChem CID58252507
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC Name7-fluoro-2-methyl-3H-benzimidazole-5-carboxylic acid
SMILESCc1nc2c(F)cc(C(=O)O)cc2[nH]1
InChIInChI=1S/C9H7FN2O2/c1-4-11-7-3-5(9(13)14)2-6(10)8(7)12-4/h2-3H,1H3,(H,11,12)(H,13,14)
InChIKeyKLOJQRYVWHRTCV-UHFFFAOYSA-N
XLogP1.71
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 7-fluoro-2-methyl-3H-benzimidazole-5-carboxylic acid (CID 58252507) is 7-fluoro-2-methyl-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 7-fluoro-2-methyl-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 7-fluoro-2-methyl-3H-benzimidazole-5-carboxylic acid is Cc1nc2c(F)cc(C(=O)O)cc2[nH]1.
What is the InChIKey of 7-fluoro-2-methyl-3H-benzimidazole-5-carboxylic acid?
The InChIKey is KLOJQRYVWHRTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c1-4-11-7-3-5(9(13)14)2-6(10)8(7)12-4/h2-3H,1H3,(H,11,12)(H,13,14).
What are the key properties of 7-fluoro-2-methyl-3H-benzimidazole-5-carboxylic acid?
7-fluoro-2-methyl-3H-benzimidazole-5-carboxylic acid has a molecular weight of 194.16 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 58252507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).