2-(4-iodophenyl)-1-(4,4,4-trifluorobutyl)imidazole

C13H12F3IN2 — CID 113327565

IUPAC2-(4-iodophenyl)-1-(4,4,4-trifluorobutyl)imidazole
SMILESFC(F)(F)CCCn1ccnc1-c1ccc(I)cc1
InChIInChI=1S/C13H12F3IN2/c14-13(15,16)6-1-8-19-9-7-18-12(19)10-2-4-11(17)5-3-10/h2-5,7,9H,1,6,8H2
InChIKeyUUTIYTGNLYNXKQ-UHFFFAOYSA-N
MW380.15 g/mol
LogP4.50
Rot. Bonds4

About 2-(4-iodophenyl)-1-(4,4,4-trifluorobutyl)imidazole

2-(4-iodophenyl)-1-(4,4,4-trifluorobutyl)imidazole (PubChem CID 113327565) has the molecular formula C13H12F3IN2 and a molecular weight of 380.15 g/mol. Its IUPAC name is 2-(4-iodophenyl)-1-(4,4,4-trifluorobutyl)imidazole.

Molecular Properties

Compound Name2-(4-iodophenyl)-1-(4,4,4-trifluorobutyl)imidazole
PubChem CID113327565
Molecular FormulaC13H12F3IN2
Molecular Weight380.15 g/mol
Exact Mass380.00
IUPAC Name2-(4-iodophenyl)-1-(4,4,4-trifluorobutyl)imidazole
SMILESFC(F)(F)CCCn1ccnc1-c1ccc(I)cc1
InChIInChI=1S/C13H12F3IN2/c14-13(15,16)6-1-8-19-9-7-18-12(19)10-2-4-11(17)5-3-10/h2-5,7,9H,1,6,8H2
InChIKeyUUTIYTGNLYNXKQ-UHFFFAOYSA-N
XLogP4.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.15
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-1-(4,4,4-trifluorobutyl)imidazole?
The IUPAC name of 2-(4-iodophenyl)-1-(4,4,4-trifluorobutyl)imidazole (CID 113327565) is 2-(4-iodophenyl)-1-(4,4,4-trifluorobutyl)imidazole.
What is the SMILES notation for 2-(4-iodophenyl)-1-(4,4,4-trifluorobutyl)imidazole?
The canonical SMILES for 2-(4-iodophenyl)-1-(4,4,4-trifluorobutyl)imidazole is FC(F)(F)CCCn1ccnc1-c1ccc(I)cc1.
What is the InChIKey of 2-(4-iodophenyl)-1-(4,4,4-trifluorobutyl)imidazole?
The InChIKey is UUTIYTGNLYNXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3IN2/c14-13(15,16)6-1-8-19-9-7-18-12(19)10-2-4-11(17)5-3-10/h2-5,7,9H,1,6,8H2.
What are the key properties of 2-(4-iodophenyl)-1-(4,4,4-trifluorobutyl)imidazole?
2-(4-iodophenyl)-1-(4,4,4-trifluorobutyl)imidazole has a molecular weight of 380.15 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-1-(4,4,4-trifluorobutyl)imidazole is sourced from PubChem (CID 113327565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).