4,4-bis(4-fluorophenyl)-2-(2-methoxyethyl)-1H-imidazol-5-one

C18H16F2N2O2 — CID 142917558

IUPAC4,4-bis(4-fluorophenyl)-2-(2-methoxyethyl)-1H-imidazol-5-one
SMILESCOCCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1
InChIInChI=1S/C18H16F2N2O2/c1-24-11-10-16-21-17(23)18(22-16,12-2-6-14(19)7-3-12)13-4-8-15(20)9-5-13/h2-9H,10-11H2,1H3,(H,21,22,23)
InChIKeyQMENBDMPDHUEAL-UHFFFAOYSA-N
MW330.33 g/mol
LogP2.77
Rot. Bonds5

About 4,4-bis(4-fluorophenyl)-2-(2-methoxyethyl)-1H-imidazol-5-one

4,4-bis(4-fluorophenyl)-2-(2-methoxyethyl)-1H-imidazol-5-one (PubChem CID 142917558) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is 4,4-bis(4-fluorophenyl)-2-(2-methoxyethyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name4,4-bis(4-fluorophenyl)-2-(2-methoxyethyl)-1H-imidazol-5-one
PubChem CID142917558
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC Name4,4-bis(4-fluorophenyl)-2-(2-methoxyethyl)-1H-imidazol-5-one
SMILESCOCCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1
InChIInChI=1S/C18H16F2N2O2/c1-24-11-10-16-21-17(23)18(22-16,12-2-6-14(19)7-3-12)13-4-8-15(20)9-5-13/h2-9H,10-11H2,1H3,(H,21,22,23)
InChIKeyQMENBDMPDHUEAL-UHFFFAOYSA-N
XLogP2.77
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(4-fluorophenyl)-2-(2-methoxyethyl)-1H-imidazol-5-one?
The IUPAC name of 4,4-bis(4-fluorophenyl)-2-(2-methoxyethyl)-1H-imidazol-5-one (CID 142917558) is 4,4-bis(4-fluorophenyl)-2-(2-methoxyethyl)-1H-imidazol-5-one.
What is the SMILES notation for 4,4-bis(4-fluorophenyl)-2-(2-methoxyethyl)-1H-imidazol-5-one?
The canonical SMILES for 4,4-bis(4-fluorophenyl)-2-(2-methoxyethyl)-1H-imidazol-5-one is COCCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1.
What is the InChIKey of 4,4-bis(4-fluorophenyl)-2-(2-methoxyethyl)-1H-imidazol-5-one?
The InChIKey is QMENBDMPDHUEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2/c1-24-11-10-16-21-17(23)18(22-16,12-2-6-14(19)7-3-12)13-4-8-15(20)9-5-13/h2-9H,10-11H2,1H3,(H,21,22,23).
What are the key properties of 4,4-bis(4-fluorophenyl)-2-(2-methoxyethyl)-1H-imidazol-5-one?
4,4-bis(4-fluorophenyl)-2-(2-methoxyethyl)-1H-imidazol-5-one has a molecular weight of 330.33 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(4-fluorophenyl)-2-(2-methoxyethyl)-1H-imidazol-5-one is sourced from PubChem (CID 142917558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).