2-(2-fluoro-4-nitrophenyl)sulfanyl-1-methylimidazole

C10H8FN3O2S — CID 15077511

IUPAC2-(2-fluoro-4-nitrophenyl)sulfanyl-1-methylimidazole
SMILESCn1ccnc1Sc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C10H8FN3O2S/c1-13-5-4-12-10(13)17-9-3-2-7(14(15)16)6-8(9)11/h2-6H,1H3
InChIKeyMKIOJOBTIPPPOW-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.62
Rot. Bonds3

About 2-(2-fluoro-4-nitrophenyl)sulfanyl-1-methylimidazole

2-(2-fluoro-4-nitrophenyl)sulfanyl-1-methylimidazole (PubChem CID 15077511) has the molecular formula C10H8FN3O2S and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(2-fluoro-4-nitrophenyl)sulfanyl-1-methylimidazole.

Molecular Properties

Compound Name2-(2-fluoro-4-nitrophenyl)sulfanyl-1-methylimidazole
PubChem CID15077511
Molecular FormulaC10H8FN3O2S
Molecular Weight253.26 g/mol
Exact Mass253.03
IUPAC Name2-(2-fluoro-4-nitrophenyl)sulfanyl-1-methylimidazole
SMILESCn1ccnc1Sc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C10H8FN3O2S/c1-13-5-4-12-10(13)17-9-3-2-7(14(15)16)6-8(9)11/h2-6H,1H3
InChIKeyMKIOJOBTIPPPOW-UHFFFAOYSA-N
XLogP2.62
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.62
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 2-(2-fluoro-4-nitrophenyl)sulfanyl-1-methylimidazole 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 2-(2-fluoro-4-nitrophenyl)sulfanyl-1-methylimidazole?
The IUPAC name of 2-(2-fluoro-4-nitrophenyl)sulfanyl-1-methylimidazole (CID 15077511) is 2-(2-fluoro-4-nitrophenyl)sulfanyl-1-methylimidazole.
What is the SMILES notation for 2-(2-fluoro-4-nitrophenyl)sulfanyl-1-methylimidazole?
The canonical SMILES for 2-(2-fluoro-4-nitrophenyl)sulfanyl-1-methylimidazole is Cn1ccnc1Sc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 2-(2-fluoro-4-nitrophenyl)sulfanyl-1-methylimidazole?
The InChIKey is MKIOJOBTIPPPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2S/c1-13-5-4-12-10(13)17-9-3-2-7(14(15)16)6-8(9)11/h2-6H,1H3.
What are the key properties of 2-(2-fluoro-4-nitrophenyl)sulfanyl-1-methylimidazole?
2-(2-fluoro-4-nitrophenyl)sulfanyl-1-methylimidazole has a molecular weight of 253.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-nitrophenyl)sulfanyl-1-methylimidazole is sourced from PubChem (CID 15077511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).