2-[2-(4-fluorophenyl)-5-nitroimidazol-1-yl]ethanol

C11H10FN3O3 — CID 20676

IUPAC2-[2-(4-fluorophenyl)-5-nitroimidazol-1-yl]ethanol
SMILESO=[N+]([O-])c1cnc(-c2ccc(F)cc2)n1CCO
InChIInChI=1S/C11H10FN3O3/c12-9-3-1-8(2-4-9)11-13-7-10(15(17)18)14(11)5-6-16/h1-4,7,16H,5-6H2
InChIKeyOQKHPZHGTCHGOQ-UHFFFAOYSA-N
MW251.22 g/mol
LogP1.59
Rot. Bonds4

About 2-[2-(4-fluorophenyl)-5-nitroimidazol-1-yl]ethanol

2-[2-(4-fluorophenyl)-5-nitroimidazol-1-yl]ethanol (PubChem CID 20676) has the molecular formula C11H10FN3O3 and a molecular weight of 251.22 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-5-nitroimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-5-nitroimidazol-1-yl]ethanol
PubChem CID20676
Molecular FormulaC11H10FN3O3
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC Name2-[2-(4-fluorophenyl)-5-nitroimidazol-1-yl]ethanol
SMILESO=[N+]([O-])c1cnc(-c2ccc(F)cc2)n1CCO
InChIInChI=1S/C11H10FN3O3/c12-9-3-1-8(2-4-9)11-13-7-10(15(17)18)14(11)5-6-16/h1-4,7,16H,5-6H2
InChIKeyOQKHPZHGTCHGOQ-UHFFFAOYSA-N
XLogP1.59
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1-benzyl-1H-imidazol-2-yl)methanol
CID 311778
2-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroimidazole
CID 44186493
1-Methyl-5-nitro-2-(2-phenylethyl)imidazole
CID 44186672
1-Benzyl-4-nitro-1H-imidazole
CID 534138
1-((4-fluorophenyl)methyl)-4-nitro-1H-imidazole
CID 741339
1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1H-imidazole
CID 2728093
1-[(4-Fluorophenyl)methyl]-2-methyl-5-nitroimidazole
CID 738162
1-Benzyl-2-methyl-5-nitro-1H-imidazole
CID 1080100
1-[2-[(E)-2-(4-fluorophenyl)ethenyl]-5-nitroimidazol-1-yl]propan-2-ol
CID 71740359
1-[5-nitro-2-[(E)-2-(4-nitrophenyl)ethenyl]imidazol-1-yl]propan-2-ol
CID 71740362
1-[2-[(E)-2-(4-methylphenyl)ethenyl]-5-nitroimidazol-1-yl]propan-2-ol
CID 71740490
1-[2-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-5-nitroimidazol-1-yl]propan-2-ol
CID 71740491

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-5-nitroimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(4-fluorophenyl)-5-nitroimidazol-1-yl]ethanol (CID 20676) is 2-[2-(4-fluorophenyl)-5-nitroimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-5-nitroimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(4-fluorophenyl)-5-nitroimidazol-1-yl]ethanol is O=[N+]([O-])c1cnc(-c2ccc(F)cc2)n1CCO.
What is the InChIKey of 2-[2-(4-fluorophenyl)-5-nitroimidazol-1-yl]ethanol?
The InChIKey is OQKHPZHGTCHGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3/c12-9-3-1-8(2-4-9)11-13-7-10(15(17)18)14(11)5-6-16/h1-4,7,16H,5-6H2.
What are the key properties of 2-[2-(4-fluorophenyl)-5-nitroimidazol-1-yl]ethanol?
2-[2-(4-fluorophenyl)-5-nitroimidazol-1-yl]ethanol has a molecular weight of 251.22 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-5-nitroimidazol-1-yl]ethanol is sourced from PubChem (CID 20676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).