3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzoic acid

C16H13FN2O2 — CID 62924974

IUPAC3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzoic acid
SMILESCCn1c(-c2cccc(C(=O)O)c2)nc2ccc(F)cc21
InChIInChI=1S/C16H13FN2O2/c1-2-19-14-9-12(17)6-7-13(14)18-15(19)10-4-3-5-11(8-10)16(20)21/h3-9H,2H2,1H3,(H,20,21)
InChIKeyGCUJMFBTFVBQQV-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.56
Rot. Bonds3

About 3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzoic acid

3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzoic acid (PubChem CID 62924974) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzoic acid.

Molecular Properties

Compound Name3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzoic acid
PubChem CID62924974
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzoic acid
SMILESCCn1c(-c2cccc(C(=O)O)c2)nc2ccc(F)cc21
InChIInChI=1S/C16H13FN2O2/c1-2-19-14-9-12(17)6-7-13(14)18-15(19)10-4-3-5-11(8-10)16(20)21/h3-9H,2H2,1H3,(H,20,21)
InChIKeyGCUJMFBTFVBQQV-UHFFFAOYSA-N
XLogP3.56
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzoic acid?
The IUPAC name of 3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzoic acid (CID 62924974) is 3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzoic acid.
What is the SMILES notation for 3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzoic acid?
The canonical SMILES for 3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzoic acid is CCn1c(-c2cccc(C(=O)O)c2)nc2ccc(F)cc21.
What is the InChIKey of 3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzoic acid?
The InChIKey is GCUJMFBTFVBQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-2-19-14-9-12(17)6-7-13(14)18-15(19)10-4-3-5-11(8-10)16(20)21/h3-9H,2H2,1H3,(H,20,21).
What are the key properties of 3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzoic acid?
3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzoic acid has a molecular weight of 284.29 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzoic acid is sourced from PubChem (CID 62924974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).