2-[5,6-difluoro-2-(5-methylfuran-3-yl)benzimidazol-1-yl]acetic acid

C14H10F2N2O3 — CID 114821661

IUPAC2-[5,6-difluoro-2-(5-methylfuran-3-yl)benzimidazol-1-yl]acetic acid
SMILESCc1cc(-c2nc3cc(F)c(F)cc3n2CC(=O)O)co1
InChIInChI=1S/C14H10F2N2O3/c1-7-2-8(6-21-7)14-17-11-3-9(15)10(16)4-12(11)18(14)5-13(19)20/h2-4,6H,5H2,1H3,(H,19,20)
InChIKeyJDNLTFJWIAFPAG-UHFFFAOYSA-N
MW292.24 g/mol
LogP2.97
Rot. Bonds3

About 2-[5,6-difluoro-2-(5-methylfuran-3-yl)benzimidazol-1-yl]acetic acid

2-[5,6-difluoro-2-(5-methylfuran-3-yl)benzimidazol-1-yl]acetic acid (PubChem CID 114821661) has the molecular formula C14H10F2N2O3 and a molecular weight of 292.24 g/mol. Its IUPAC name is 2-[5,6-difluoro-2-(5-methylfuran-3-yl)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5,6-difluoro-2-(5-methylfuran-3-yl)benzimidazol-1-yl]acetic acid
PubChem CID114821661
Molecular FormulaC14H10F2N2O3
Molecular Weight292.24 g/mol
Exact Mass292.07
IUPAC Name2-[5,6-difluoro-2-(5-methylfuran-3-yl)benzimidazol-1-yl]acetic acid
SMILESCc1cc(-c2nc3cc(F)c(F)cc3n2CC(=O)O)co1
InChIInChI=1S/C14H10F2N2O3/c1-7-2-8(6-21-7)14-17-11-3-9(15)10(16)4-12(11)18(14)5-13(19)20/h2-4,6H,5H2,1H3,(H,19,20)
InChIKeyJDNLTFJWIAFPAG-UHFFFAOYSA-N
XLogP2.97
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5,6-difluoro-2-(5-methylfuran-3-yl)benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[5,6-difluoro-2-(5-methylfuran-3-yl)benzimidazol-1-yl]acetic acid (CID 114821661) is 2-[5,6-difluoro-2-(5-methylfuran-3-yl)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5,6-difluoro-2-(5-methylfuran-3-yl)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[5,6-difluoro-2-(5-methylfuran-3-yl)benzimidazol-1-yl]acetic acid is Cc1cc(-c2nc3cc(F)c(F)cc3n2CC(=O)O)co1.
What is the InChIKey of 2-[5,6-difluoro-2-(5-methylfuran-3-yl)benzimidazol-1-yl]acetic acid?
The InChIKey is JDNLTFJWIAFPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3/c1-7-2-8(6-21-7)14-17-11-3-9(15)10(16)4-12(11)18(14)5-13(19)20/h2-4,6H,5H2,1H3,(H,19,20).
What are the key properties of 2-[5,6-difluoro-2-(5-methylfuran-3-yl)benzimidazol-1-yl]acetic acid?
2-[5,6-difluoro-2-(5-methylfuran-3-yl)benzimidazol-1-yl]acetic acid has a molecular weight of 292.24 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-difluoro-2-(5-methylfuran-3-yl)benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 114821661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).