2-(bromomethyl)-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine

C10H8BrF3N4 — CID 165400965

IUPAC2-(bromomethyl)-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine
SMILESCn1cc(C(F)(F)F)nc1-c1cnc(CBr)nc1
InChIInChI=1S/C10H8BrF3N4/c1-18-5-7(10(12,13)14)17-9(18)6-3-15-8(2-11)16-4-6/h3-5H,2H2,1H3
InChIKeyFQPFGTIJRNGGQI-UHFFFAOYSA-N
MW321.10 g/mol
LogP2.79
Rot. Bonds2

About 2-(bromomethyl)-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine

2-(bromomethyl)-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine (PubChem CID 165400965) has the molecular formula C10H8BrF3N4 and a molecular weight of 321.10 g/mol. Its IUPAC name is 2-(bromomethyl)-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine.

Molecular Properties

Compound Name2-(bromomethyl)-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine
PubChem CID165400965
Molecular FormulaC10H8BrF3N4
Molecular Weight321.10 g/mol
Exact Mass319.99
IUPAC Name2-(bromomethyl)-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine
SMILESCn1cc(C(F)(F)F)nc1-c1cnc(CBr)nc1
InChIInChI=1S/C10H8BrF3N4/c1-18-5-7(10(12,13)14)17-9(18)6-3-15-8(2-11)16-4-6/h3-5H,2H2,1H3
InChIKeyFQPFGTIJRNGGQI-UHFFFAOYSA-N
XLogP2.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.10
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine?
The IUPAC name of 2-(bromomethyl)-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine (CID 165400965) is 2-(bromomethyl)-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine.
What is the SMILES notation for 2-(bromomethyl)-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine?
The canonical SMILES for 2-(bromomethyl)-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine is Cn1cc(C(F)(F)F)nc1-c1cnc(CBr)nc1.
What is the InChIKey of 2-(bromomethyl)-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine?
The InChIKey is FQPFGTIJRNGGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3N4/c1-18-5-7(10(12,13)14)17-9(18)6-3-15-8(2-11)16-4-6/h3-5H,2H2,1H3.
What are the key properties of 2-(bromomethyl)-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine?
2-(bromomethyl)-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine has a molecular weight of 321.10 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine is sourced from PubChem (CID 165400965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).