4-(3-fluorophenyl)-2,2-dimethyl-1H-imidazol-5-one

C11H11FN2O — CID 3240492

IUPAC4-(3-fluorophenyl)-2,2-dimethyl-1H-imidazol-5-one
SMILESCC1(C)N=C(c2cccc(F)c2)C(=O)N1
InChIInChI=1S/C11H11FN2O/c1-11(2)13-9(10(15)14-11)7-4-3-5-8(12)6-7/h3-6H,1-2H3,(H,14,15)
InChIKeyMPFMYLYOWGEWAA-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.48
Rot. Bonds1

About 4-(3-fluorophenyl)-2,2-dimethyl-1H-imidazol-5-one

4-(3-fluorophenyl)-2,2-dimethyl-1H-imidazol-5-one (PubChem CID 3240492) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2,2-dimethyl-1H-imidazol-5-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2,2-dimethyl-1H-imidazol-5-one
PubChem CID3240492
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name4-(3-fluorophenyl)-2,2-dimethyl-1H-imidazol-5-one
SMILESCC1(C)N=C(c2cccc(F)c2)C(=O)N1
InChIInChI=1S/C11H11FN2O/c1-11(2)13-9(10(15)14-11)7-4-3-5-8(12)6-7/h3-6H,1-2H3,(H,14,15)
InChIKeyMPFMYLYOWGEWAA-UHFFFAOYSA-N
XLogP1.48
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2,2-dimethyl-1H-imidazol-5-one?
The IUPAC name of 4-(3-fluorophenyl)-2,2-dimethyl-1H-imidazol-5-one (CID 3240492) is 4-(3-fluorophenyl)-2,2-dimethyl-1H-imidazol-5-one.
What is the SMILES notation for 4-(3-fluorophenyl)-2,2-dimethyl-1H-imidazol-5-one?
The canonical SMILES for 4-(3-fluorophenyl)-2,2-dimethyl-1H-imidazol-5-one is CC1(C)N=C(c2cccc(F)c2)C(=O)N1.
What is the InChIKey of 4-(3-fluorophenyl)-2,2-dimethyl-1H-imidazol-5-one?
The InChIKey is MPFMYLYOWGEWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-11(2)13-9(10(15)14-11)7-4-3-5-8(12)6-7/h3-6H,1-2H3,(H,14,15).
What are the key properties of 4-(3-fluorophenyl)-2,2-dimethyl-1H-imidazol-5-one?
4-(3-fluorophenyl)-2,2-dimethyl-1H-imidazol-5-one has a molecular weight of 206.22 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2,2-dimethyl-1H-imidazol-5-one is sourced from PubChem (CID 3240492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).