2-[6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-yl]sulfanylacetic acid

C14H11FN2O3S — CID 62376191

IUPAC2-[6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nc2ccc(F)cc2n1Cc1ccco1
InChIInChI=1S/C14H11FN2O3S/c15-9-3-4-11-12(6-9)17(7-10-2-1-5-20-10)14(16-11)21-8-13(18)19/h1-6H,7-8H2,(H,18,19)
InChIKeyZUTZMYPHAYOUJM-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.99
Rot. Bonds5

About 2-[6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-yl]sulfanylacetic acid

2-[6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-yl]sulfanylacetic acid (PubChem CID 62376191) has the molecular formula C14H11FN2O3S and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-[6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-yl]sulfanylacetic acid
PubChem CID62376191
Molecular FormulaC14H11FN2O3S
Molecular Weight306.32 g/mol
Exact Mass306.05
IUPAC Name2-[6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nc2ccc(F)cc2n1Cc1ccco1
InChIInChI=1S/C14H11FN2O3S/c15-9-3-4-11-12(6-9)17(7-10-2-1-5-20-10)14(16-11)21-8-13(18)19/h1-6H,7-8H2,(H,18,19)
InChIKeyZUTZMYPHAYOUJM-UHFFFAOYSA-N
XLogP2.99
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-yl]sulfanylacetic acid (CID 62376191) is 2-[6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-yl]sulfanylacetic acid is O=C(O)CSc1nc2ccc(F)cc2n1Cc1ccco1.
What is the InChIKey of 2-[6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-yl]sulfanylacetic acid?
The InChIKey is ZUTZMYPHAYOUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3S/c15-9-3-4-11-12(6-9)17(7-10-2-1-5-20-10)14(16-11)21-8-13(18)19/h1-6H,7-8H2,(H,18,19).
What are the key properties of 2-[6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-yl]sulfanylacetic acid?
2-[6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-yl]sulfanylacetic acid has a molecular weight of 306.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-yl]sulfanylacetic acid is sourced from PubChem (CID 62376191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).