4-chloro-1-(2-fluoro-6-methoxy-4-nitrophenyl)imidazole

C10H7ClFN3O3 — CID 66858143

IUPAC4-chloro-1-(2-fluoro-6-methoxy-4-nitrophenyl)imidazole
SMILESCOc1cc([N+](=O)[O-])cc(F)c1-n1cnc(Cl)c1
InChIInChI=1S/C10H7ClFN3O3/c1-18-8-3-6(15(16)17)2-7(12)10(8)14-4-9(11)13-5-14/h2-5H,1H3
InChIKeyHSLQXNOMULSWGL-UHFFFAOYSA-N
MW271.64 g/mol
LogP2.58
Rot. Bonds3

About 4-chloro-1-(2-fluoro-6-methoxy-4-nitrophenyl)imidazole

4-chloro-1-(2-fluoro-6-methoxy-4-nitrophenyl)imidazole (PubChem CID 66858143) has the molecular formula C10H7ClFN3O3 and a molecular weight of 271.64 g/mol. Its IUPAC name is 4-chloro-1-(2-fluoro-6-methoxy-4-nitrophenyl)imidazole.

Molecular Properties

Compound Name4-chloro-1-(2-fluoro-6-methoxy-4-nitrophenyl)imidazole
PubChem CID66858143
Molecular FormulaC10H7ClFN3O3
Molecular Weight271.64 g/mol
Exact Mass271.02
IUPAC Name4-chloro-1-(2-fluoro-6-methoxy-4-nitrophenyl)imidazole
SMILESCOc1cc([N+](=O)[O-])cc(F)c1-n1cnc(Cl)c1
InChIInChI=1S/C10H7ClFN3O3/c1-18-8-3-6(15(16)17)2-7(12)10(8)14-4-9(11)13-5-14/h2-5H,1H3
InChIKeyHSLQXNOMULSWGL-UHFFFAOYSA-N
XLogP2.58
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.64
LogP ≤ 52.58
H-Bond Donors ≤ 50
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'}

Analyze 4-chloro-1-(2-fluoro-6-methoxy-4-nitrophenyl)imidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-fluoro-6-methoxy-4-nitrophenyl)imidazole?
The IUPAC name of 4-chloro-1-(2-fluoro-6-methoxy-4-nitrophenyl)imidazole (CID 66858143) is 4-chloro-1-(2-fluoro-6-methoxy-4-nitrophenyl)imidazole.
What is the SMILES notation for 4-chloro-1-(2-fluoro-6-methoxy-4-nitrophenyl)imidazole?
The canonical SMILES for 4-chloro-1-(2-fluoro-6-methoxy-4-nitrophenyl)imidazole is COc1cc([N+](=O)[O-])cc(F)c1-n1cnc(Cl)c1.
What is the InChIKey of 4-chloro-1-(2-fluoro-6-methoxy-4-nitrophenyl)imidazole?
The InChIKey is HSLQXNOMULSWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O3/c1-18-8-3-6(15(16)17)2-7(12)10(8)14-4-9(11)13-5-14/h2-5H,1H3.
What are the key properties of 4-chloro-1-(2-fluoro-6-methoxy-4-nitrophenyl)imidazole?
4-chloro-1-(2-fluoro-6-methoxy-4-nitrophenyl)imidazole has a molecular weight of 271.64 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-fluoro-6-methoxy-4-nitrophenyl)imidazole is sourced from PubChem (CID 66858143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).