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

C13H13FN2O3 — CID 103436206

IUPAC6-fluoro-2-(3-methyloxolan-2-yl)-1H-benzimidazole-4-carboxylic acid
SMILESCC1CCOC1c1nc2c(C(=O)O)cc(F)cc2[nH]1
InChIInChI=1S/C13H13FN2O3/c1-6-2-3-19-11(6)12-15-9-5-7(14)4-8(13(17)18)10(9)16-12/h4-6,11H,2-3H2,1H3,(H,15,16)(H,17,18)
InChIKeyGBUNXRITCNAQDK-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.50
Rot. Bonds2

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

6-fluoro-2-(3-methyloxolan-2-yl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 103436206) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 6-fluoro-2-(3-methyloxolan-2-yl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-(3-methyloxolan-2-yl)-1H-benzimidazole-4-carboxylic acid
PubChem CID103436206
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name6-fluoro-2-(3-methyloxolan-2-yl)-1H-benzimidazole-4-carboxylic acid
SMILESCC1CCOC1c1nc2c(C(=O)O)cc(F)cc2[nH]1
InChIInChI=1S/C13H13FN2O3/c1-6-2-3-19-11(6)12-15-9-5-7(14)4-8(13(17)18)10(9)16-12/h4-6,11H,2-3H2,1H3,(H,15,16)(H,17,18)
InChIKeyGBUNXRITCNAQDK-UHFFFAOYSA-N
XLogP2.50
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-2-(oxan-2-ylmethyl)-1H-benzimidazole-4-carboxylic acid
CID 103436201
6-fluoro-2-(3-fluoro-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 103436169
2-(2,4-dimethyl-1,3-oxazol-5-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103435917
2-(3-methyloxolan-2-yl)-4-methylsulfonyl-1H-benzimidazole
CID 82008360
5,6-dichloro-2-(3-methyloxolan-2-yl)-1H-imidazo[4,5-b]pyridine
CID 103977579
6-fluoro-2-(4-methyl-1,3-oxazol-5-yl)-1H-benzimidazole-4-carboxylic acid
CID 103436255
2-(3-methyloxolan-2-yl)-1H-benzimidazole-4-carbonitrile
CID 104720488
2-(5-ethylfuran-2-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103436113
2-[(3-ethoxycyclobutyl)methyl]-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103436069
2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103435825
6-fluoro-2-(1-methylpyrazol-3-yl)-1H-benzimidazole-4-carboxylic acid
CID 136948243
2-(2-bromo-4-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103436100

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(3-methyloxolan-2-yl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 6-fluoro-2-(3-methyloxolan-2-yl)-1H-benzimidazole-4-carboxylic acid (CID 103436206) is 6-fluoro-2-(3-methyloxolan-2-yl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-(3-methyloxolan-2-yl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 6-fluoro-2-(3-methyloxolan-2-yl)-1H-benzimidazole-4-carboxylic acid is CC1CCOC1c1nc2c(C(=O)O)cc(F)cc2[nH]1.
What is the InChIKey of 6-fluoro-2-(3-methyloxolan-2-yl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is GBUNXRITCNAQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-6-2-3-19-11(6)12-15-9-5-7(14)4-8(13(17)18)10(9)16-12/h4-6,11H,2-3H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 6-fluoro-2-(3-methyloxolan-2-yl)-1H-benzimidazole-4-carboxylic acid?
6-fluoro-2-(3-methyloxolan-2-yl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 264.26 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(3-methyloxolan-2-yl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 103436206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).