2-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]pyrimidine

C19H14F2N4 — CID 44573607

IUPAC2-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]pyrimidine
SMILESFc1ccc(C2(c3ccc(F)cc3)CN=C(c3ncccn3)N2)cc1
InChIInChI=1S/C19H14F2N4/c20-15-6-2-13(3-7-15)19(14-4-8-16(21)9-5-14)12-24-18(25-19)17-22-10-1-11-23-17/h1-11H,12H2,(H,24,25)
InChIKeyYPIYQXVZTNAINT-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.05
Rot. Bonds3

About 2-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]pyrimidine

2-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]pyrimidine (PubChem CID 44573607) has the molecular formula C19H14F2N4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]pyrimidine.

Molecular Properties

Compound Name2-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]pyrimidine
PubChem CID44573607
Molecular FormulaC19H14F2N4
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name2-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]pyrimidine
SMILESFc1ccc(C2(c3ccc(F)cc3)CN=C(c3ncccn3)N2)cc1
InChIInChI=1S/C19H14F2N4/c20-15-6-2-13(3-7-15)19(14-4-8-16(21)9-5-14)12-24-18(25-19)17-22-10-1-11-23-17/h1-11H,12H2,(H,24,25)
InChIKeyYPIYQXVZTNAINT-UHFFFAOYSA-N
XLogP3.05
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]pyrimidine?
The IUPAC name of 2-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]pyrimidine (CID 44573607) is 2-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]pyrimidine.
What is the SMILES notation for 2-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]pyrimidine?
The canonical SMILES for 2-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]pyrimidine is Fc1ccc(C2(c3ccc(F)cc3)CN=C(c3ncccn3)N2)cc1.
What is the InChIKey of 2-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]pyrimidine?
The InChIKey is YPIYQXVZTNAINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4/c20-15-6-2-13(3-7-15)19(14-4-8-16(21)9-5-14)12-24-18(25-19)17-22-10-1-11-23-17/h1-11H,12H2,(H,24,25).
What are the key properties of 2-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]pyrimidine?
2-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]pyrimidine has a molecular weight of 336.35 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,5-bis(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]pyrimidine is sourced from PubChem (CID 44573607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).