5-amino-3-[2-(2-fluorophenoxy)acetyl]-1H-benzimidazol-2-one

C15H12FN3O3 — CID 110724076

IUPAC5-amino-3-[2-(2-fluorophenoxy)acetyl]-1H-benzimidazol-2-one
SMILESNc1ccc2[nH]c(=O)n(C(=O)COc3ccccc3F)c2c1
InChIInChI=1S/C15H12FN3O3/c16-10-3-1-2-4-13(10)22-8-14(20)19-12-7-9(17)5-6-11(12)18-15(19)21/h1-7H,8,17H2,(H,18,21)
InChIKeyWGOAJPDEWARQLH-UHFFFAOYSA-N
MW301.28 g/mol
LogP1.77
Rot. Bonds3

About 5-amino-3-[2-(2-fluorophenoxy)acetyl]-1H-benzimidazol-2-one

5-amino-3-[2-(2-fluorophenoxy)acetyl]-1H-benzimidazol-2-one (PubChem CID 110724076) has the molecular formula C15H12FN3O3 and a molecular weight of 301.28 g/mol. Its IUPAC name is 5-amino-3-[2-(2-fluorophenoxy)acetyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-amino-3-[2-(2-fluorophenoxy)acetyl]-1H-benzimidazol-2-one
PubChem CID110724076
Molecular FormulaC15H12FN3O3
Molecular Weight301.28 g/mol
Exact Mass301.09
IUPAC Name5-amino-3-[2-(2-fluorophenoxy)acetyl]-1H-benzimidazol-2-one
SMILESNc1ccc2[nH]c(=O)n(C(=O)COc3ccccc3F)c2c1
InChIInChI=1S/C15H12FN3O3/c16-10-3-1-2-4-13(10)22-8-14(20)19-12-7-9(17)5-6-11(12)18-15(19)21/h1-7H,8,17H2,(H,18,21)
InChIKeyWGOAJPDEWARQLH-UHFFFAOYSA-N
XLogP1.77
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[2-(2-fluorophenoxy)acetyl]-1H-benzimidazol-2-one?
The IUPAC name of 5-amino-3-[2-(2-fluorophenoxy)acetyl]-1H-benzimidazol-2-one (CID 110724076) is 5-amino-3-[2-(2-fluorophenoxy)acetyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 5-amino-3-[2-(2-fluorophenoxy)acetyl]-1H-benzimidazol-2-one?
The canonical SMILES for 5-amino-3-[2-(2-fluorophenoxy)acetyl]-1H-benzimidazol-2-one is Nc1ccc2[nH]c(=O)n(C(=O)COc3ccccc3F)c2c1.
What is the InChIKey of 5-amino-3-[2-(2-fluorophenoxy)acetyl]-1H-benzimidazol-2-one?
The InChIKey is WGOAJPDEWARQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3/c16-10-3-1-2-4-13(10)22-8-14(20)19-12-7-9(17)5-6-11(12)18-15(19)21/h1-7H,8,17H2,(H,18,21).
What are the key properties of 5-amino-3-[2-(2-fluorophenoxy)acetyl]-1H-benzimidazol-2-one?
5-amino-3-[2-(2-fluorophenoxy)acetyl]-1H-benzimidazol-2-one has a molecular weight of 301.28 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[2-(2-fluorophenoxy)acetyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 110724076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).