2-imidazol-1-yl-4-(2,3,4-trifluorophenyl)pyrimidine

C13H7F3N4 — CID 175240434

IUPAC2-imidazol-1-yl-4-(2,3,4-trifluorophenyl)pyrimidine
SMILESFc1ccc(-c2ccnc(-n3ccnc3)n2)c(F)c1F
InChIInChI=1S/C13H7F3N4/c14-9-2-1-8(11(15)12(9)16)10-3-4-18-13(19-10)20-6-5-17-7-20/h1-7H
InChIKeyUZQSYYDTOWYSPJ-UHFFFAOYSA-N
MW276.22 g/mol
LogP2.75
Rot. Bonds2

About 2-imidazol-1-yl-4-(2,3,4-trifluorophenyl)pyrimidine

2-imidazol-1-yl-4-(2,3,4-trifluorophenyl)pyrimidine (PubChem CID 175240434) has the molecular formula C13H7F3N4 and a molecular weight of 276.22 g/mol. Its IUPAC name is 2-imidazol-1-yl-4-(2,3,4-trifluorophenyl)pyrimidine.

Molecular Properties

Compound Name2-imidazol-1-yl-4-(2,3,4-trifluorophenyl)pyrimidine
PubChem CID175240434
Molecular FormulaC13H7F3N4
Molecular Weight276.22 g/mol
Exact Mass276.06
IUPAC Name2-imidazol-1-yl-4-(2,3,4-trifluorophenyl)pyrimidine
SMILESFc1ccc(-c2ccnc(-n3ccnc3)n2)c(F)c1F
InChIInChI=1S/C13H7F3N4/c14-9-2-1-8(11(15)12(9)16)10-3-4-18-13(19-10)20-6-5-17-7-20/h1-7H
InChIKeyUZQSYYDTOWYSPJ-UHFFFAOYSA-N
XLogP2.75
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-4-(2,3,4-trifluorophenyl)pyrimidine?
The IUPAC name of 2-imidazol-1-yl-4-(2,3,4-trifluorophenyl)pyrimidine (CID 175240434) is 2-imidazol-1-yl-4-(2,3,4-trifluorophenyl)pyrimidine.
What is the SMILES notation for 2-imidazol-1-yl-4-(2,3,4-trifluorophenyl)pyrimidine?
The canonical SMILES for 2-imidazol-1-yl-4-(2,3,4-trifluorophenyl)pyrimidine is Fc1ccc(-c2ccnc(-n3ccnc3)n2)c(F)c1F.
What is the InChIKey of 2-imidazol-1-yl-4-(2,3,4-trifluorophenyl)pyrimidine?
The InChIKey is UZQSYYDTOWYSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N4/c14-9-2-1-8(11(15)12(9)16)10-3-4-18-13(19-10)20-6-5-17-7-20/h1-7H.
What are the key properties of 2-imidazol-1-yl-4-(2,3,4-trifluorophenyl)pyrimidine?
2-imidazol-1-yl-4-(2,3,4-trifluorophenyl)pyrimidine has a molecular weight of 276.22 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-4-(2,3,4-trifluorophenyl)pyrimidine is sourced from PubChem (CID 175240434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).