3-[(3-fluorophenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide

C15H12FN3O2 — CID 87524252

IUPAC3-[(3-fluorophenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide
SMILESO=C(NO)c1ccc2ncn(Cc3cccc(F)c3)c2c1
InChIInChI=1S/C15H12FN3O2/c16-12-3-1-2-10(6-12)8-19-9-17-13-5-4-11(7-14(13)19)15(20)18-21/h1-7,9,21H,8H2,(H,18,20)
InChIKeyAXIFLDKZIOVFOY-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.34
Rot. Bonds3

About 3-[(3-fluorophenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide

3-[(3-fluorophenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide (PubChem CID 87524252) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide
PubChem CID87524252
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name3-[(3-fluorophenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide
SMILESO=C(NO)c1ccc2ncn(Cc3cccc(F)c3)c2c1
InChIInChI=1S/C15H12FN3O2/c16-12-3-1-2-10(6-12)8-19-9-17-13-5-4-11(7-14(13)19)15(20)18-21/h1-7,9,21H,8H2,(H,18,20)
InChIKeyAXIFLDKZIOVFOY-UHFFFAOYSA-N
XLogP2.34
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide (CID 87524252) is 3-[(3-fluorophenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide is O=C(NO)c1ccc2ncn(Cc3cccc(F)c3)c2c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide?
The InChIKey is AXIFLDKZIOVFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-12-3-1-2-10(6-12)8-19-9-17-13-5-4-11(7-14(13)19)15(20)18-21/h1-7,9,21H,8H2,(H,18,20).
What are the key properties of 3-[(3-fluorophenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide?
3-[(3-fluorophenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide has a molecular weight of 285.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide is sourced from PubChem (CID 87524252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).