2-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one

C12H13FN2O — CID 106953110

IUPAC2-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
SMILESCC(C)C1N=C(c2ccc(F)cc2)NC1=O
InChIInChI=1S/C12H13FN2O/c1-7(2)10-12(16)15-11(14-10)8-3-5-9(13)6-4-8/h3-7,10H,1-2H3,(H,14,15,16)
InChIKeyCHOOZTITQQNSBD-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.73
Rot. Bonds2

About 2-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one

2-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one (PubChem CID 106953110) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
PubChem CID106953110
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name2-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
SMILESCC(C)C1N=C(c2ccc(F)cc2)NC1=O
InChIInChI=1S/C12H13FN2O/c1-7(2)10-12(16)15-11(14-10)8-3-5-9(13)6-4-8/h3-7,10H,1-2H3,(H,14,15,16)
InChIKeyCHOOZTITQQNSBD-UHFFFAOYSA-N
XLogP1.73
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one (CID 106953110) is 2-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one is CC(C)C1N=C(c2ccc(F)cc2)NC1=O.
What is the InChIKey of 2-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The InChIKey is CHOOZTITQQNSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-7(2)10-12(16)15-11(14-10)8-3-5-9(13)6-4-8/h3-7,10H,1-2H3,(H,14,15,16).
What are the key properties of 2-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one?
2-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one has a molecular weight of 220.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106953110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).