2-(4-bromophenyl)-1-propyl-4-(trifluoromethyl)imidazole

C13H12BrF3N2 — CID 162440281

IUPAC2-(4-bromophenyl)-1-propyl-4-(trifluoromethyl)imidazole
SMILESCCCn1cc(C(F)(F)F)nc1-c1ccc(Br)cc1
InChIInChI=1S/C13H12BrF3N2/c1-2-7-19-8-11(13(15,16)17)18-12(19)9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3
InChIKeyMXPVKTNKJOVTET-UHFFFAOYSA-N
MW333.15 g/mol
LogP4.74
Rot. Bonds3

About 2-(4-bromophenyl)-1-propyl-4-(trifluoromethyl)imidazole

2-(4-bromophenyl)-1-propyl-4-(trifluoromethyl)imidazole (PubChem CID 162440281) has the molecular formula C13H12BrF3N2 and a molecular weight of 333.15 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-propyl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-propyl-4-(trifluoromethyl)imidazole
PubChem CID162440281
Molecular FormulaC13H12BrF3N2
Molecular Weight333.15 g/mol
Exact Mass332.01
IUPAC Name2-(4-bromophenyl)-1-propyl-4-(trifluoromethyl)imidazole
SMILESCCCn1cc(C(F)(F)F)nc1-c1ccc(Br)cc1
InChIInChI=1S/C13H12BrF3N2/c1-2-7-19-8-11(13(15,16)17)18-12(19)9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3
InChIKeyMXPVKTNKJOVTET-UHFFFAOYSA-N
XLogP4.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.15
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-propyl-4-(trifluoromethyl)imidazole?
The IUPAC name of 2-(4-bromophenyl)-1-propyl-4-(trifluoromethyl)imidazole (CID 162440281) is 2-(4-bromophenyl)-1-propyl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-(4-bromophenyl)-1-propyl-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2-(4-bromophenyl)-1-propyl-4-(trifluoromethyl)imidazole is CCCn1cc(C(F)(F)F)nc1-c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-propyl-4-(trifluoromethyl)imidazole?
The InChIKey is MXPVKTNKJOVTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF3N2/c1-2-7-19-8-11(13(15,16)17)18-12(19)9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-propyl-4-(trifluoromethyl)imidazole?
2-(4-bromophenyl)-1-propyl-4-(trifluoromethyl)imidazole has a molecular weight of 333.15 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-propyl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 162440281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).