4-methyl-1-(2,4,6-trifluoro-3-methyl-5-nitrophenyl)imidazole

C11H8F3N3O2 — CID 122639893

IUPAC4-methyl-1-(2,4,6-trifluoro-3-methyl-5-nitrophenyl)imidazole
SMILESCc1cn(-c2c(F)c(C)c(F)c([N+](=O)[O-])c2F)cn1
InChIInChI=1S/C11H8F3N3O2/c1-5-3-16(4-15-5)10-7(12)6(2)8(13)11(9(10)14)17(18)19/h3-4H,1-2H3
InChIKeyUOUKDASDUSTBEQ-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.81
Rot. Bonds2

About 4-methyl-1-(2,4,6-trifluoro-3-methyl-5-nitrophenyl)imidazole

4-methyl-1-(2,4,6-trifluoro-3-methyl-5-nitrophenyl)imidazole (PubChem CID 122639893) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 4-methyl-1-(2,4,6-trifluoro-3-methyl-5-nitrophenyl)imidazole.

Molecular Properties

Compound Name4-methyl-1-(2,4,6-trifluoro-3-methyl-5-nitrophenyl)imidazole
PubChem CID122639893
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Name4-methyl-1-(2,4,6-trifluoro-3-methyl-5-nitrophenyl)imidazole
SMILESCc1cn(-c2c(F)c(C)c(F)c([N+](=O)[O-])c2F)cn1
InChIInChI=1S/C11H8F3N3O2/c1-5-3-16(4-15-5)10-7(12)6(2)8(13)11(9(10)14)17(18)19/h3-4H,1-2H3
InChIKeyUOUKDASDUSTBEQ-UHFFFAOYSA-N
XLogP2.81
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-methyl-1-(2,4,6-trifluoro-3-methyl-5-nitrophenyl)imidazole?
The IUPAC name of 4-methyl-1-(2,4,6-trifluoro-3-methyl-5-nitrophenyl)imidazole (CID 122639893) is 4-methyl-1-(2,4,6-trifluoro-3-methyl-5-nitrophenyl)imidazole.
What is the SMILES notation for 4-methyl-1-(2,4,6-trifluoro-3-methyl-5-nitrophenyl)imidazole?
The canonical SMILES for 4-methyl-1-(2,4,6-trifluoro-3-methyl-5-nitrophenyl)imidazole is Cc1cn(-c2c(F)c(C)c(F)c([N+](=O)[O-])c2F)cn1.
What is the InChIKey of 4-methyl-1-(2,4,6-trifluoro-3-methyl-5-nitrophenyl)imidazole?
The InChIKey is UOUKDASDUSTBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c1-5-3-16(4-15-5)10-7(12)6(2)8(13)11(9(10)14)17(18)19/h3-4H,1-2H3.
What are the key properties of 4-methyl-1-(2,4,6-trifluoro-3-methyl-5-nitrophenyl)imidazole?
4-methyl-1-(2,4,6-trifluoro-3-methyl-5-nitrophenyl)imidazole has a molecular weight of 271.20 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,4,6-trifluoro-3-methyl-5-nitrophenyl)imidazole is sourced from PubChem (CID 122639893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).