1-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-2-propylimidazole

C14H14BrF3N2 — CID 107086151

IUPAC1-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-2-propylimidazole
SMILESCCCc1nccn1-c1ccc(CBr)c(C(F)(F)F)c1
InChIInChI=1S/C14H14BrF3N2/c1-2-3-13-19-6-7-20(13)11-5-4-10(9-15)12(8-11)14(16,17)18/h4-8H,2-3,9H2,1H3
InChIKeyVXGDCWWPEOWXTK-UHFFFAOYSA-N
MW347.18 g/mol
LogP4.74
Rot. Bonds4

About 1-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-2-propylimidazole

1-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-2-propylimidazole (PubChem CID 107086151) has the molecular formula C14H14BrF3N2 and a molecular weight of 347.18 g/mol. Its IUPAC name is 1-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-2-propylimidazole.

Molecular Properties

Compound Name1-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-2-propylimidazole
PubChem CID107086151
Molecular FormulaC14H14BrF3N2
Molecular Weight347.18 g/mol
Exact Mass346.03
IUPAC Name1-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-2-propylimidazole
SMILESCCCc1nccn1-c1ccc(CBr)c(C(F)(F)F)c1
InChIInChI=1S/C14H14BrF3N2/c1-2-3-13-19-6-7-20(13)11-5-4-10(9-15)12(8-11)14(16,17)18/h4-8H,2-3,9H2,1H3
InChIKeyVXGDCWWPEOWXTK-UHFFFAOYSA-N
XLogP4.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(bromomethyl)-2-fluorophenyl]-2-propylimidazole
CID 107086160
1-[2-amino-5-(2-propylimidazol-1-yl)phenyl]ethanone
CID 104613159
1-[3-(2-propylimidazol-1-yl)phenyl]ethanamine
CID 79170583
[2-(2-propylimidazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79869330
1-[3-(chloromethyl)phenyl]-2-propylimidazole
CID 112594438
2-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]imidazole
CID 143518831
5-(2-propylimidazol-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107306319
1-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-4-propan-2-ylpiperidine
CID 107085565
(1R)-1-[4-(2-propylimidazol-1-yl)phenyl]propan-1-amine
CID 114066424
N-methyl-1-[5-(2-propylimidazol-1-yl)-2-pyridinyl]ethanamine
CID 83127825
1-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-4-chloropyrazole
CID 107085833
1-(bromomethyl)-4-ethylsulfonyl-2-(trifluoromethyl)benzene
CID 67219835

Frequently Asked Questions

What is the IUPAC name of 1-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-2-propylimidazole?
The IUPAC name of 1-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-2-propylimidazole (CID 107086151) is 1-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-2-propylimidazole.
What is the SMILES notation for 1-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-2-propylimidazole?
The canonical SMILES for 1-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-2-propylimidazole is CCCc1nccn1-c1ccc(CBr)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-2-propylimidazole?
The InChIKey is VXGDCWWPEOWXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF3N2/c1-2-3-13-19-6-7-20(13)11-5-4-10(9-15)12(8-11)14(16,17)18/h4-8H,2-3,9H2,1H3.
What are the key properties of 1-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-2-propylimidazole?
1-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-2-propylimidazole has a molecular weight of 347.18 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-2-propylimidazole is sourced from PubChem (CID 107086151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).