4-ethyl-5-(4-fluorophenyl)-1,3-dihydroimidazol-2-one

C11H11FN2O — CID 105458493

IUPAC4-ethyl-5-(4-fluorophenyl)-1,3-dihydroimidazol-2-one
SMILESCCc1[nH]c(=O)[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c1-2-9-10(14-11(15)13-9)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H2,13,14,15)
InChIKeyVHKSCQSQHLWEPD-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.07
Rot. Bonds2

About 4-ethyl-5-(4-fluorophenyl)-1,3-dihydroimidazol-2-one

4-ethyl-5-(4-fluorophenyl)-1,3-dihydroimidazol-2-one (PubChem CID 105458493) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 4-ethyl-5-(4-fluorophenyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-ethyl-5-(4-fluorophenyl)-1,3-dihydroimidazol-2-one
PubChem CID105458493
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name4-ethyl-5-(4-fluorophenyl)-1,3-dihydroimidazol-2-one
SMILESCCc1[nH]c(=O)[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c1-2-9-10(14-11(15)13-9)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H2,13,14,15)
InChIKeyVHKSCQSQHLWEPD-UHFFFAOYSA-N
XLogP2.07
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(4-fluorophenyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-ethyl-5-(4-fluorophenyl)-1,3-dihydroimidazol-2-one (CID 105458493) is 4-ethyl-5-(4-fluorophenyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-ethyl-5-(4-fluorophenyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-ethyl-5-(4-fluorophenyl)-1,3-dihydroimidazol-2-one is CCc1[nH]c(=O)[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 4-ethyl-5-(4-fluorophenyl)-1,3-dihydroimidazol-2-one?
The InChIKey is VHKSCQSQHLWEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-2-9-10(14-11(15)13-9)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H2,13,14,15).
What are the key properties of 4-ethyl-5-(4-fluorophenyl)-1,3-dihydroimidazol-2-one?
4-ethyl-5-(4-fluorophenyl)-1,3-dihydroimidazol-2-one has a molecular weight of 206.22 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(4-fluorophenyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 105458493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).