2-[3-[(2-fluorophenyl)methyl]-2-oxobenzimidazol-1-yl]acetic acid

C16H13FN2O3 — CID 70550727

IUPAC2-[3-[(2-fluorophenyl)methyl]-2-oxobenzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)n(Cc2ccccc2F)c2ccccc21
InChIInChI=1S/C16H13FN2O3/c17-12-6-2-1-5-11(12)9-18-13-7-3-4-8-14(13)19(16(18)22)10-15(20)21/h1-8H,9-10H2,(H,20,21)
InChIKeyUWUJPDSTQXYIGA-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.08
Rot. Bonds4

About 2-[3-[(2-fluorophenyl)methyl]-2-oxobenzimidazol-1-yl]acetic acid

2-[3-[(2-fluorophenyl)methyl]-2-oxobenzimidazol-1-yl]acetic acid (PubChem CID 70550727) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 2-[3-[(2-fluorophenyl)methyl]-2-oxobenzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-fluorophenyl)methyl]-2-oxobenzimidazol-1-yl]acetic acid
PubChem CID70550727
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name2-[3-[(2-fluorophenyl)methyl]-2-oxobenzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)n(Cc2ccccc2F)c2ccccc21
InChIInChI=1S/C16H13FN2O3/c17-12-6-2-1-5-11(12)9-18-13-7-3-4-8-14(13)19(16(18)22)10-15(20)21/h1-8H,9-10H2,(H,20,21)
InChIKeyUWUJPDSTQXYIGA-UHFFFAOYSA-N
XLogP2.08
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-fluorophenyl)methyl]-2-oxobenzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[(2-fluorophenyl)methyl]-2-oxobenzimidazol-1-yl]acetic acid (CID 70550727) is 2-[3-[(2-fluorophenyl)methyl]-2-oxobenzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(2-fluorophenyl)methyl]-2-oxobenzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(2-fluorophenyl)methyl]-2-oxobenzimidazol-1-yl]acetic acid is O=C(O)Cn1c(=O)n(Cc2ccccc2F)c2ccccc21.
What is the InChIKey of 2-[3-[(2-fluorophenyl)methyl]-2-oxobenzimidazol-1-yl]acetic acid?
The InChIKey is UWUJPDSTQXYIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c17-12-6-2-1-5-11(12)9-18-13-7-3-4-8-14(13)19(16(18)22)10-15(20)21/h1-8H,9-10H2,(H,20,21).
What are the key properties of 2-[3-[(2-fluorophenyl)methyl]-2-oxobenzimidazol-1-yl]acetic acid?
2-[3-[(2-fluorophenyl)methyl]-2-oxobenzimidazol-1-yl]acetic acid has a molecular weight of 300.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-fluorophenyl)methyl]-2-oxobenzimidazol-1-yl]acetic acid is sourced from PubChem (CID 70550727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).