5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)oxolane-2-carboxylic acid

C15H15FN2O3 — CID 102689586

IUPAC5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(c2nc3cc(F)ccc3n2C2CC2)O1
InChIInChI=1S/C15H15FN2O3/c16-8-1-4-11-10(7-8)17-14(18(11)9-2-3-9)12-5-6-13(21-12)15(19)20/h1,4,7,9,12-13H,2-3,5-6H2,(H,19,20)
InChIKeyDKZOALGLELFSDQ-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.82
Rot. Bonds3

About 5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)oxolane-2-carboxylic acid

5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)oxolane-2-carboxylic acid (PubChem CID 102689586) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)oxolane-2-carboxylic acid
PubChem CID102689586
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(c2nc3cc(F)ccc3n2C2CC2)O1
InChIInChI=1S/C15H15FN2O3/c16-8-1-4-11-10(7-8)17-14(18(11)9-2-3-9)12-5-6-13(21-12)15(19)20/h1,4,7,9,12-13H,2-3,5-6H2,(H,19,20)
InChIKeyDKZOALGLELFSDQ-UHFFFAOYSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)oxolane-2-carboxylic acid?
The IUPAC name of 5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)oxolane-2-carboxylic acid (CID 102689586) is 5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)oxolane-2-carboxylic acid.
What is the SMILES notation for 5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)oxolane-2-carboxylic acid?
The canonical SMILES for 5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)oxolane-2-carboxylic acid is O=C(O)C1CCC(c2nc3cc(F)ccc3n2C2CC2)O1.
What is the InChIKey of 5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)oxolane-2-carboxylic acid?
The InChIKey is DKZOALGLELFSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c16-8-1-4-11-10(7-8)17-14(18(11)9-2-3-9)12-5-6-13(21-12)15(19)20/h1,4,7,9,12-13H,2-3,5-6H2,(H,19,20).
What are the key properties of 5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)oxolane-2-carboxylic acid?
5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)oxolane-2-carboxylic acid has a molecular weight of 290.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102689586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).