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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Related Compounds

7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
CID 175811837
3,5-difluoro-4-(2-methoxypropylamino)benzoic acid
CID 102698532
2-[[4-[6-[(4-chloro-2,5-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-methoxypropyl)benzimidazole-5-carboxylic acid
CID 174242233
3-(bromomethyl)-5-fluoro-4-methoxybenzoic acid
CID 171024750
3-(3-methyl-2-propan-2-ylbutyl)benzimidazole-5-carboxylic acid
CID 102907252
4-acetyl-1-(2-methoxypropyl)pyrrole-2-carboxylic acid
CID 102700128
7-(methoxymethyl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylic acid
CID 171799512
4-butan-2-yloxy-3,5-difluorobenzoic acid
CID 63183576
3-(4-hydroxy-2-methylbutyl)benzimidazole-5-carboxylic acid
CID 82791170
4-[(3-ethylimidazol-4-yl)methoxy]-3,5-difluorobenzoic acid
CID 79887466
4-(1-carboxyethoxy)-3,5-difluorobenzoic acid
CID 79892067
1-(2,2-difluoroethyl)benzimidazole-4-carboxylic acid
CID 115543983

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).