4-nitro-1-[4-(trifluoromethyl)phenyl]imidazole

C10H6F3N3O2 — CID 53231650

IUPAC4-nitro-1-[4-(trifluoromethyl)phenyl]imidazole
SMILESO=[N+]([O-])c1cn(-c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C10H6F3N3O2/c11-10(12,13)7-1-3-8(4-2-7)15-5-9(14-6-15)16(17)18/h1-6H
InChIKeyPNGOKWGMEOIUIX-UHFFFAOYSA-N
MW257.17 g/mol
LogP2.80
Rot. Bonds2

About 4-nitro-1-[4-(trifluoromethyl)phenyl]imidazole

4-nitro-1-[4-(trifluoromethyl)phenyl]imidazole (PubChem CID 53231650) has the molecular formula C10H6F3N3O2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 4-nitro-1-[4-(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Name4-nitro-1-[4-(trifluoromethyl)phenyl]imidazole
PubChem CID53231650
Molecular FormulaC10H6F3N3O2
Molecular Weight257.17 g/mol
Exact Mass257.04
IUPAC Name4-nitro-1-[4-(trifluoromethyl)phenyl]imidazole
SMILESO=[N+]([O-])c1cn(-c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C10H6F3N3O2/c11-10(12,13)7-1-3-8(4-2-7)15-5-9(14-6-15)16(17)18/h1-6H
InChIKeyPNGOKWGMEOIUIX-UHFFFAOYSA-N
XLogP2.80
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 52.80
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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Related Compounds

Trim
CID 1359
2-Methyl-4-nitro-1-(4-nitrophenyl)-1H-imidazole
CID 71900
1-(4-Nitrophenyl)-1H-imidazole
CID 123155
1-(4-nitrophenethyl)-1H-imidazole
CID 3317166
1-(4-Nitrobenzyl)-1H-imidazole
CID 585819
Benzonitrile, p-imidazol-1-yl-
CID 135744
1-(4-Trifluoromethylphenyl)imidazole
CID 141198
N-(4-ethylphenyl)-2-(2-methyl-4-nitro-1H-imidazol-1-yl)acetamide
CID 780277
N-(4-ethylphenyl)-2-{4-nitro-1H-imidazol-1-yl}acetamide
CID 1099820
1-(3-Chloro-4-fluorophenyl)-4-nitroimidazole
CID 52953343
1-(3-fluorophenyl)-4-nitro-1H-imidazole
CID 24756746
1-(3,5-Difluorophenyl)-4-nitroimidazole
CID 24756749

Frequently Asked Questions

What is the IUPAC name of 4-nitro-1-[4-(trifluoromethyl)phenyl]imidazole?
The IUPAC name of 4-nitro-1-[4-(trifluoromethyl)phenyl]imidazole (CID 53231650) is 4-nitro-1-[4-(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for 4-nitro-1-[4-(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for 4-nitro-1-[4-(trifluoromethyl)phenyl]imidazole is O=[N+]([O-])c1cn(-c2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of 4-nitro-1-[4-(trifluoromethyl)phenyl]imidazole?
The InChIKey is PNGOKWGMEOIUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O2/c11-10(12,13)7-1-3-8(4-2-7)15-5-9(14-6-15)16(17)18/h1-6H.
What are the key properties of 4-nitro-1-[4-(trifluoromethyl)phenyl]imidazole?
4-nitro-1-[4-(trifluoromethyl)phenyl]imidazole has a molecular weight of 257.17 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-1-[4-(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 53231650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).