2-fluoro-5-(2-nitroethyl)-1H-imidazole

C5H6FN3O2 — CID 11019148

IUPAC2-fluoro-5-(2-nitroethyl)-1H-imidazole
SMILESO=[N+]([O-])CCc1cnc(F)[nH]1
InChIInChI=1S/C5H6FN3O2/c6-5-7-3-4(8-5)1-2-9(10)11/h3H,1-2H2,(H,7,8)
InChIKeyITEQPLSIEXUHGQ-UHFFFAOYSA-N
MW159.12 g/mol
LogP0.37
Rot. Bonds3

About 2-fluoro-5-(2-nitroethyl)-1H-imidazole

2-fluoro-5-(2-nitroethyl)-1H-imidazole (PubChem CID 11019148) has the molecular formula C5H6FN3O2 and a molecular weight of 159.12 g/mol. Its IUPAC name is 2-fluoro-5-(2-nitroethyl)-1H-imidazole.

Molecular Properties

Compound Name2-fluoro-5-(2-nitroethyl)-1H-imidazole
PubChem CID11019148
Molecular FormulaC5H6FN3O2
Molecular Weight159.12 g/mol
Exact Mass159.04
IUPAC Name2-fluoro-5-(2-nitroethyl)-1H-imidazole
SMILESO=[N+]([O-])CCc1cnc(F)[nH]1
InChIInChI=1S/C5H6FN3O2/c6-5-7-3-4(8-5)1-2-9(10)11/h3H,1-2H2,(H,7,8)
InChIKeyITEQPLSIEXUHGQ-UHFFFAOYSA-N
XLogP0.37
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.12
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-5-(2-nitroethyl)-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-nitro-1H-imidazol-5-yl)ethanol
CID 54077026
5-(2-nitro-1H-imidazol-5-yl)pentan-1-amine
CID 122641497
2-(2-nitroethyl)-4-tritio-1H-pyrrole
CID 89253491
5-bromo-2-methoxy-4-(2-nitroethyl)pyridine
CID 146273668
2-butyl-5-tetradecyl-1H-imidazole;nitric acid
CID 158622630
6-chloro-5-(2-nitroethyl)pyridine-3-carboxylic acid
CID 174607588
5-butyl-2-ethyl-1H-imidazole;nitric acid
CID 174876419
2-(5-nitropentyl)-1H-pyrrole
CID 67867044
tert-butyl N-[2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethyl]carbamate;2-(4-chlorophenyl)-5-(2-nitroethyl)-1H-imidazole;diiodomethane;iodoform;methane
CID 163964642
1,13-dinitrotridecane
CID 19902714
5-bromo-2-nitro-1H-imidazole
CID 14358387
[4-(2-nitroethyl)phenyl]methanol
CID 58219289

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-nitroethyl)-1H-imidazole?
The IUPAC name of 2-fluoro-5-(2-nitroethyl)-1H-imidazole (CID 11019148) is 2-fluoro-5-(2-nitroethyl)-1H-imidazole.
What is the SMILES notation for 2-fluoro-5-(2-nitroethyl)-1H-imidazole?
The canonical SMILES for 2-fluoro-5-(2-nitroethyl)-1H-imidazole is O=[N+]([O-])CCc1cnc(F)[nH]1.
What is the InChIKey of 2-fluoro-5-(2-nitroethyl)-1H-imidazole?
The InChIKey is ITEQPLSIEXUHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3O2/c6-5-7-3-4(8-5)1-2-9(10)11/h3H,1-2H2,(H,7,8).
What are the key properties of 2-fluoro-5-(2-nitroethyl)-1H-imidazole?
2-fluoro-5-(2-nitroethyl)-1H-imidazole has a molecular weight of 159.12 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-nitroethyl)-1H-imidazole is sourced from PubChem (CID 11019148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).