1-[3-(5-fluoro-2-nitrophenoxy)propyl]imidazole

C12H12FN3O3 — CID 112728227

IUPAC1-[3-(5-fluoro-2-nitrophenoxy)propyl]imidazole
SMILESO=[N+]([O-])c1ccc(F)cc1OCCCn1ccnc1
InChIInChI=1S/C12H12FN3O3/c13-10-2-3-11(16(17)18)12(8-10)19-7-1-5-15-6-4-14-9-15/h2-4,6,8-9H,1,5,7H2
InChIKeyBDCJODSDANASKE-UHFFFAOYSA-N
MW265.24 g/mol
LogP2.40
Rot. Bonds6

About 1-[3-(5-fluoro-2-nitrophenoxy)propyl]imidazole

1-[3-(5-fluoro-2-nitrophenoxy)propyl]imidazole (PubChem CID 112728227) has the molecular formula C12H12FN3O3 and a molecular weight of 265.24 g/mol. Its IUPAC name is 1-[3-(5-fluoro-2-nitrophenoxy)propyl]imidazole.

Molecular Properties

Compound Name1-[3-(5-fluoro-2-nitrophenoxy)propyl]imidazole
PubChem CID112728227
Molecular FormulaC12H12FN3O3
Molecular Weight265.24 g/mol
Exact Mass265.09
IUPAC Name1-[3-(5-fluoro-2-nitrophenoxy)propyl]imidazole
SMILESO=[N+]([O-])c1ccc(F)cc1OCCCn1ccnc1
InChIInChI=1S/C12H12FN3O3/c13-10-2-3-11(16(17)18)12(8-10)19-7-1-5-15-6-4-14-9-15/h2-4,6,8-9H,1,5,7H2
InChIKeyBDCJODSDANASKE-UHFFFAOYSA-N
XLogP2.40
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-[3-(5-fluoro-2-nitrophenoxy)propoxy]-1-nitrobenzene
CID 7533666
1-[4-(3-imidazol-1-ylpropoxy)-3-nitrophenyl]-N-methylmethanamine
CID 61494997
1-[4-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]ethanamine
CID 63064237
1-[5-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine
CID 107701135
1-[4-(4-fluorophenoxy)butyl]imidazole
CID 31196577
4-fluoro-2-[2-(2-methylphenoxy)ethoxy]-1-nitrobenzene
CID 112787536
1-[10-(4-nitrophenoxy)decyl]imidazole
CID 13219131
3-(5-fluoro-2-nitrophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015946
4-[(5-fluoro-2-nitrophenoxy)methyl]-1-methyltriazole
CID 103866197
1-[5-(4-fluorophenoxy)pentyl]imidazole
CID 2851826
4-(5-fluoro-2-nitrophenoxy)butanehydrazide
CID 55212419
5-fluoro-2-(2-imidazol-1-ylethoxy)benzoic acid
CID 113281443

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-fluoro-2-nitrophenoxy)propyl]imidazole?
The IUPAC name of 1-[3-(5-fluoro-2-nitrophenoxy)propyl]imidazole (CID 112728227) is 1-[3-(5-fluoro-2-nitrophenoxy)propyl]imidazole.
What is the SMILES notation for 1-[3-(5-fluoro-2-nitrophenoxy)propyl]imidazole?
The canonical SMILES for 1-[3-(5-fluoro-2-nitrophenoxy)propyl]imidazole is O=[N+]([O-])c1ccc(F)cc1OCCCn1ccnc1.
What is the InChIKey of 1-[3-(5-fluoro-2-nitrophenoxy)propyl]imidazole?
The InChIKey is BDCJODSDANASKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3/c13-10-2-3-11(16(17)18)12(8-10)19-7-1-5-15-6-4-14-9-15/h2-4,6,8-9H,1,5,7H2.
What are the key properties of 1-[3-(5-fluoro-2-nitrophenoxy)propyl]imidazole?
1-[3-(5-fluoro-2-nitrophenoxy)propyl]imidazole has a molecular weight of 265.24 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-fluoro-2-nitrophenoxy)propyl]imidazole is sourced from PubChem (CID 112728227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).