7-fluoro-3-[(2R)-2-methoxypropyl]benzimidazole-5-carboxylic acid

C12H13FN2O3 — CID 175811846

IUPAC7-fluoro-3-[(2R)-2-methoxypropyl]benzimidazole-5-carboxylic acid
SMILESCO[C@H](C)Cn1cnc2c(F)cc(C(=O)O)cc21
InChIInChI=1S/C12H13FN2O3/c1-7(18-2)5-15-6-14-11-9(13)3-8(12(16)17)4-10(11)15/h3-4,6-7H,5H2,1-2H3,(H,16,17)/t7-/m1/s1
InChIKeyBUAOKJSZACJGPZ-SSDOTTSWSA-N
MW252.25 g/mol
LogP1.91
Rot. Bonds4

About 7-fluoro-3-[(2R)-2-methoxypropyl]benzimidazole-5-carboxylic acid

7-fluoro-3-[(2R)-2-methoxypropyl]benzimidazole-5-carboxylic acid (PubChem CID 175811846) has the molecular formula C12H13FN2O3 and a molecular weight of 252.25 g/mol. Its IUPAC name is 7-fluoro-3-[(2R)-2-methoxypropyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-3-[(2R)-2-methoxypropyl]benzimidazole-5-carboxylic acid
PubChem CID175811846
Molecular FormulaC12H13FN2O3
Molecular Weight252.25 g/mol
Exact Mass252.09
IUPAC Name7-fluoro-3-[(2R)-2-methoxypropyl]benzimidazole-5-carboxylic acid
SMILESCO[C@H](C)Cn1cnc2c(F)cc(C(=O)O)cc21
InChIInChI=1S/C12H13FN2O3/c1-7(18-2)5-15-6-14-11-9(13)3-8(12(16)17)4-10(11)15/h3-4,6-7H,5H2,1-2H3,(H,16,17)/t7-/m1/s1
InChIKeyBUAOKJSZACJGPZ-SSDOTTSWSA-N
XLogP1.91
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[(2R)-2-methoxypropyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 7-fluoro-3-[(2R)-2-methoxypropyl]benzimidazole-5-carboxylic acid (CID 175811846) is 7-fluoro-3-[(2R)-2-methoxypropyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 7-fluoro-3-[(2R)-2-methoxypropyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 7-fluoro-3-[(2R)-2-methoxypropyl]benzimidazole-5-carboxylic acid is CO[C@H](C)Cn1cnc2c(F)cc(C(=O)O)cc21.
What is the InChIKey of 7-fluoro-3-[(2R)-2-methoxypropyl]benzimidazole-5-carboxylic acid?
The InChIKey is BUAOKJSZACJGPZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H13FN2O3/c1-7(18-2)5-15-6-14-11-9(13)3-8(12(16)17)4-10(11)15/h3-4,6-7H,5H2,1-2H3,(H,16,17)/t7-/m1/s1.
What are the key properties of 7-fluoro-3-[(2R)-2-methoxypropyl]benzimidazole-5-carboxylic acid?
7-fluoro-3-[(2R)-2-methoxypropyl]benzimidazole-5-carboxylic acid has a molecular weight of 252.25 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[(2R)-2-methoxypropyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 175811846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).