1-iodo-2-[4-(trifluoromethoxy)phenyl]imidazole

C10H6F3IN2O — CID 174608293

IUPAC1-iodo-2-[4-(trifluoromethoxy)phenyl]imidazole
SMILESFC(F)(F)Oc1ccc(-c2nccn2I)cc1
InChIInChI=1S/C10H6F3IN2O/c11-10(12,13)17-8-3-1-7(2-4-8)9-15-5-6-16(9)14/h1-6H
InChIKeyJAJHTYPIECSYKK-UHFFFAOYSA-N
MW354.07 g/mol
LogP3.65
Rot. Bonds2

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

1-iodo-2-[4-(trifluoromethoxy)phenyl]imidazole (PubChem CID 174608293) has the molecular formula C10H6F3IN2O and a molecular weight of 354.07 g/mol. Its IUPAC name is 1-iodo-2-[4-(trifluoromethoxy)phenyl]imidazole.

Molecular Properties

Compound Name1-iodo-2-[4-(trifluoromethoxy)phenyl]imidazole
PubChem CID174608293
Molecular FormulaC10H6F3IN2O
Molecular Weight354.07 g/mol
Exact Mass353.95
IUPAC Name1-iodo-2-[4-(trifluoromethoxy)phenyl]imidazole
SMILESFC(F)(F)Oc1ccc(-c2nccn2I)cc1
InChIInChI=1S/C10H6F3IN2O/c11-10(12,13)17-8-3-1-7(2-4-8)9-15-5-6-16(9)14/h1-6H
InChIKeyJAJHTYPIECSYKK-UHFFFAOYSA-N
XLogP3.65
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.07
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[2-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]imidazol-1-yl]propan-1-ol
CID 166612472
10-[4-(trifluoromethoxy)phenyl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
CID 71150357
4-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 21025907
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
2-[4-(trifluoromethoxy)phenyl]pyrazine
CID 91219772
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
2-methyl-1-[3-(trifluoromethoxy)phenyl]imidazole
CID 173241716
1-methyl-5-[4-(trifluoromethoxy)phenyl]imidazole
CID 134354899
3-methyl-5-[4-(trifluoromethoxy)phenyl]triazolo[1,5-a]pyridine
CID 146655201
8-iodo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine
CID 155338075
2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 62202664
methyl 3-methyl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxylate
CID 44818306

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-[4-(trifluoromethoxy)phenyl]imidazole?
The IUPAC name of 1-iodo-2-[4-(trifluoromethoxy)phenyl]imidazole (CID 174608293) is 1-iodo-2-[4-(trifluoromethoxy)phenyl]imidazole.
What is the SMILES notation for 1-iodo-2-[4-(trifluoromethoxy)phenyl]imidazole?
The canonical SMILES for 1-iodo-2-[4-(trifluoromethoxy)phenyl]imidazole is FC(F)(F)Oc1ccc(-c2nccn2I)cc1.
What is the InChIKey of 1-iodo-2-[4-(trifluoromethoxy)phenyl]imidazole?
The InChIKey is JAJHTYPIECSYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3IN2O/c11-10(12,13)17-8-3-1-7(2-4-8)9-15-5-6-16(9)14/h1-6H.
What are the key properties of 1-iodo-2-[4-(trifluoromethoxy)phenyl]imidazole?
1-iodo-2-[4-(trifluoromethoxy)phenyl]imidazole has a molecular weight of 354.07 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-[4-(trifluoromethoxy)phenyl]imidazole is sourced from PubChem (CID 174608293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).