2-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]imidazole

C11H8F3N3O3 — CID 53231881

IUPAC2-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]imidazole
SMILESCc1nc([N+](=O)[O-])cn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H8F3N3O3/c1-7-15-10(17(18)19)6-16(7)8-2-4-9(5-3-8)20-11(12,13)14/h2-6H,1H3
InChIKeyIHVMNPZNKOPCAU-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.99
Rot. Bonds3

About 2-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]imidazole

2-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]imidazole (PubChem CID 53231881) has the molecular formula C11H8F3N3O3 and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]imidazole.

Molecular Properties

Compound Name2-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]imidazole
PubChem CID53231881
Molecular FormulaC11H8F3N3O3
Molecular Weight287.20 g/mol
Exact Mass287.05
IUPAC Name2-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]imidazole
SMILESCc1nc([N+](=O)[O-])cn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H8F3N3O3/c1-7-15-10(17(18)19)6-16(7)8-2-4-9(5-3-8)20-11(12,13)14/h2-6H,1H3
InChIKeyIHVMNPZNKOPCAU-UHFFFAOYSA-N
XLogP2.99
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.99
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]imidazole?
The IUPAC name of 2-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]imidazole (CID 53231881) is 2-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]imidazole.
What is the SMILES notation for 2-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]imidazole?
The canonical SMILES for 2-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]imidazole is Cc1nc([N+](=O)[O-])cn1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]imidazole?
The InChIKey is IHVMNPZNKOPCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O3/c1-7-15-10(17(18)19)6-16(7)8-2-4-9(5-3-8)20-11(12,13)14/h2-6H,1H3.
What are the key properties of 2-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]imidazole?
2-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]imidazole has a molecular weight of 287.20 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]imidazole is sourced from PubChem (CID 53231881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).