7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid

C11H11FN2O3 — CID 175811837

IUPAC7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
SMILESCOCCn1cnc2c(F)cc(C(=O)O)cc21
InChIInChI=1S/C11H11FN2O3/c1-17-3-2-14-6-13-10-8(12)4-7(11(15)16)5-9(10)14/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyVMNOFQTVCLFIKL-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.52
Rot. Bonds4

About 7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid

7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid (PubChem CID 175811837) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is 7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
PubChem CID175811837
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
SMILESCOCCn1cnc2c(F)cc(C(=O)O)cc21
InChIInChI=1S/C11H11FN2O3/c1-17-3-2-14-6-13-10-8(12)4-7(11(15)16)5-9(10)14/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyVMNOFQTVCLFIKL-UHFFFAOYSA-N
XLogP1.52
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid (CID 175811837) is 7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid is COCCn1cnc2c(F)cc(C(=O)O)cc21.
What is the InChIKey of 7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid?
The InChIKey is VMNOFQTVCLFIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-17-3-2-14-6-13-10-8(12)4-7(11(15)16)5-9(10)14/h4-6H,2-3H2,1H3,(H,15,16).
What are the key properties of 7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid?
7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid has a molecular weight of 238.22 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 175811837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).