4-iodo-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole

C11H8F3IN2 — CID 90149446

IUPAC4-iodo-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
SMILESFC(F)(F)c1cccc(Cn2cnc(I)c2)c1
InChIInChI=1S/C11H8F3IN2/c12-11(13,14)9-3-1-2-8(4-9)5-17-6-10(15)16-7-17/h1-4,6-7H,5H2
InChIKeyADZHULFJMMXGFY-UHFFFAOYSA-N
MW352.10 g/mol
LogP3.55
Rot. Bonds2

About 4-iodo-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole

4-iodo-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole (PubChem CID 90149446) has the molecular formula C11H8F3IN2 and a molecular weight of 352.10 g/mol. Its IUPAC name is 4-iodo-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole.

Molecular Properties

Compound Name4-iodo-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
PubChem CID90149446
Molecular FormulaC11H8F3IN2
Molecular Weight352.10 g/mol
Exact Mass351.97
IUPAC Name4-iodo-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
SMILESFC(F)(F)c1cccc(Cn2cnc(I)c2)c1
InChIInChI=1S/C11H8F3IN2/c12-11(13,14)9-3-1-2-8(4-9)5-17-6-10(15)16-7-17/h1-4,6-7H,5H2
InChIKeyADZHULFJMMXGFY-UHFFFAOYSA-N
XLogP3.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.10
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine
CID 129205660
1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylic acid
CID 86277033
4-iodo-3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 79785518
1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 60861273
1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole
CID 23274336
3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-one
CID 4809358
2-(hydroxymethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-1,3-thiazole-5-carboxamide
CID 129205666
2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 63811781
3,5-dibromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 114692714
2-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 175947933
1-[[3-(trifluoromethyl)phenyl]methyl]azetidine-3-thiol
CID 86226767
6-chloro-5-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129233123

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole?
The IUPAC name of 4-iodo-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole (CID 90149446) is 4-iodo-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole.
What is the SMILES notation for 4-iodo-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole?
The canonical SMILES for 4-iodo-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole is FC(F)(F)c1cccc(Cn2cnc(I)c2)c1.
What is the InChIKey of 4-iodo-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole?
The InChIKey is ADZHULFJMMXGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3IN2/c12-11(13,14)9-3-1-2-8(4-9)5-17-6-10(15)16-7-17/h1-4,6-7H,5H2.
What are the key properties of 4-iodo-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole?
4-iodo-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole has a molecular weight of 352.10 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole is sourced from PubChem (CID 90149446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).