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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Related Compounds

3-[2-[4-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]propan-1-amine;dihydrochloride
CID 154923637
1-(4,4-dimethylpentyl)-2-(3-iodophenyl)imidazole
CID 114210627
1-(3-bromopropyl)-2-phenylimidazole
CID 61069567
2-[[2-(4-iodophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 59276562
2-methyl-N-[[1-(4,4,4-trifluorobutyl)imidazol-2-yl]methyl]propan-2-amine
CID 113326667
4-(2-phenylimidazol-1-yl)butanethioamide
CID 61069569
4-[1-(4-aminobutyl)imidazol-2-yl]-N,N-dimethylaniline
CID 82559228
N-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)imidazol-2-amine
CID 106579152
1,1,1-trifluoro-3-(2-pyridin-4-ylimidazol-1-yl)propan-2-ol
CID 86792569
4-(2-phenylimidazol-1-yl)butanoic acid
CID 15307825
2-[2-(4-bromophenyl)imidazol-1-yl]ethanamine
CID 82486907
N-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]ethanamine
CID 82558989

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).