6-amino-3-[2-(4-fluorophenyl)acetyl]-1H-benzimidazol-2-one

C15H12FN3O2 — CID 110723961

IUPAC6-amino-3-[2-(4-fluorophenyl)acetyl]-1H-benzimidazol-2-one
SMILESNc1ccc2c(c1)[nH]c(=O)n2C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H12FN3O2/c16-10-3-1-9(2-4-10)7-14(20)19-13-6-5-11(17)8-12(13)18-15(19)21/h1-6,8H,7,17H2,(H,18,21)
InChIKeyKONNJAKOVLYXLV-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.93
Rot. Bonds2

About 6-amino-3-[2-(4-fluorophenyl)acetyl]-1H-benzimidazol-2-one

6-amino-3-[2-(4-fluorophenyl)acetyl]-1H-benzimidazol-2-one (PubChem CID 110723961) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 6-amino-3-[2-(4-fluorophenyl)acetyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-amino-3-[2-(4-fluorophenyl)acetyl]-1H-benzimidazol-2-one
PubChem CID110723961
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name6-amino-3-[2-(4-fluorophenyl)acetyl]-1H-benzimidazol-2-one
SMILESNc1ccc2c(c1)[nH]c(=O)n2C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H12FN3O2/c16-10-3-1-9(2-4-10)7-14(20)19-13-6-5-11(17)8-12(13)18-15(19)21/h1-6,8H,7,17H2,(H,18,21)
InChIKeyKONNJAKOVLYXLV-UHFFFAOYSA-N
XLogP1.93
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[2-(4-fluorophenyl)acetyl]-1H-benzimidazol-2-one?
The IUPAC name of 6-amino-3-[2-(4-fluorophenyl)acetyl]-1H-benzimidazol-2-one (CID 110723961) is 6-amino-3-[2-(4-fluorophenyl)acetyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 6-amino-3-[2-(4-fluorophenyl)acetyl]-1H-benzimidazol-2-one?
The canonical SMILES for 6-amino-3-[2-(4-fluorophenyl)acetyl]-1H-benzimidazol-2-one is Nc1ccc2c(c1)[nH]c(=O)n2C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 6-amino-3-[2-(4-fluorophenyl)acetyl]-1H-benzimidazol-2-one?
The InChIKey is KONNJAKOVLYXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-10-3-1-9(2-4-10)7-14(20)19-13-6-5-11(17)8-12(13)18-15(19)21/h1-6,8H,7,17H2,(H,18,21).
What are the key properties of 6-amino-3-[2-(4-fluorophenyl)acetyl]-1H-benzimidazol-2-one?
6-amino-3-[2-(4-fluorophenyl)acetyl]-1H-benzimidazol-2-one has a molecular weight of 285.28 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[2-(4-fluorophenyl)acetyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 110723961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).