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

C14H14F2N2O3 — CID 79755701

IUPAC2-[5,6-difluoro-2-(2-methyloxolan-3-yl)benzimidazol-1-yl]acetic acid
SMILESCC1OCCC1c1nc2cc(F)c(F)cc2n1CC(=O)O
InChIInChI=1S/C14H14F2N2O3/c1-7-8(2-3-21-7)14-17-11-4-9(15)10(16)5-12(11)18(14)6-13(19)20/h4-5,7-8H,2-3,6H2,1H3,(H,19,20)
InChIKeyPCZVTXZXKRIKDU-UHFFFAOYSA-N
MW296.27 g/mol
LogP2.29
Rot. Bonds3

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

2-[5,6-difluoro-2-(2-methyloxolan-3-yl)benzimidazol-1-yl]acetic acid (PubChem CID 79755701) has the molecular formula C14H14F2N2O3 and a molecular weight of 296.27 g/mol. Its IUPAC name is 2-[5,6-difluoro-2-(2-methyloxolan-3-yl)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5,6-difluoro-2-(2-methyloxolan-3-yl)benzimidazol-1-yl]acetic acid
PubChem CID79755701
Molecular FormulaC14H14F2N2O3
Molecular Weight296.27 g/mol
Exact Mass296.10
IUPAC Name2-[5,6-difluoro-2-(2-methyloxolan-3-yl)benzimidazol-1-yl]acetic acid
SMILESCC1OCCC1c1nc2cc(F)c(F)cc2n1CC(=O)O
InChIInChI=1S/C14H14F2N2O3/c1-7-8(2-3-21-7)14-17-11-4-9(15)10(16)5-12(11)18(14)6-13(19)20/h4-5,7-8H,2-3,6H2,1H3,(H,19,20)
InChIKeyPCZVTXZXKRIKDU-UHFFFAOYSA-N
XLogP2.29
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 52.29
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-(2-methyloxolan-3-yl)benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[5,6-difluoro-2-(2-methyloxolan-3-yl)benzimidazol-1-yl]acetic acid (CID 79755701) is 2-[5,6-difluoro-2-(2-methyloxolan-3-yl)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5,6-difluoro-2-(2-methyloxolan-3-yl)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[5,6-difluoro-2-(2-methyloxolan-3-yl)benzimidazol-1-yl]acetic acid is CC1OCCC1c1nc2cc(F)c(F)cc2n1CC(=O)O.
What is the InChIKey of 2-[5,6-difluoro-2-(2-methyloxolan-3-yl)benzimidazol-1-yl]acetic acid?
The InChIKey is PCZVTXZXKRIKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O3/c1-7-8(2-3-21-7)14-17-11-4-9(15)10(16)5-12(11)18(14)6-13(19)20/h4-5,7-8H,2-3,6H2,1H3,(H,19,20).
What are the key properties of 2-[5,6-difluoro-2-(2-methyloxolan-3-yl)benzimidazol-1-yl]acetic acid?
2-[5,6-difluoro-2-(2-methyloxolan-3-yl)benzimidazol-1-yl]acetic acid has a molecular weight of 296.27 g/mol, XLogP of 2.29, 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-(2-methyloxolan-3-yl)benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 79755701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).