2-[4-(difluoromethoxy)phenyl]-1-methyl-4H-imidazol-5-one

C11H10F2N2O2 — CID 154459598

IUPAC2-[4-(difluoromethoxy)phenyl]-1-methyl-4H-imidazol-5-one
SMILESCN1C(=O)CN=C1c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H10F2N2O2/c1-15-9(16)6-14-10(15)7-2-4-8(5-3-7)17-11(12)13/h2-5,11H,6H2,1H3
InChIKeyCKDFOKFBTWQHSJ-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.51
Rot. Bonds3

About 2-[4-(difluoromethoxy)phenyl]-1-methyl-4H-imidazol-5-one

2-[4-(difluoromethoxy)phenyl]-1-methyl-4H-imidazol-5-one (PubChem CID 154459598) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-1-methyl-4H-imidazol-5-one.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-1-methyl-4H-imidazol-5-one
PubChem CID154459598
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name2-[4-(difluoromethoxy)phenyl]-1-methyl-4H-imidazol-5-one
SMILESCN1C(=O)CN=C1c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H10F2N2O2/c1-15-9(16)6-14-10(15)7-2-4-8(5-3-7)17-11(12)13/h2-5,11H,6H2,1H3
InChIKeyCKDFOKFBTWQHSJ-UHFFFAOYSA-N
XLogP1.51
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-4,5-dihydro-1H-imidazole
CID 237746
2-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 44269074
4-(2-Fluoro-benzyl)-3-(4-methoxy-phenyl)-4H-[1,2,4]oxadiazol-5-one
CID 3228081
2-(4-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135841601
Acetamide, N-(((2-(diethylamino)ethyl)amino)(4-ethoxyphenyl)methylene)-, monohydrochloride
CID 3072779
N-Butyl-2-[3-(4-methoxy-phenyl)-5-oxo-[1,2,4]oxadiazol-4-yl]-acetamide
CID 654606
(5E)-3-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 5715034
4-(4-methoxyphenyl)-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 584015
US20240067645, Example 1
CID 171392623
US20240067645, Example 56
CID 171392676
US20240067645, Example 58
CID 171392678
1-Acetyl-4-[4-(trifluoromethoxy)benzyl]piperazine
CID 30980023

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-1-methyl-4H-imidazol-5-one?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-1-methyl-4H-imidazol-5-one (CID 154459598) is 2-[4-(difluoromethoxy)phenyl]-1-methyl-4H-imidazol-5-one.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-1-methyl-4H-imidazol-5-one?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-1-methyl-4H-imidazol-5-one is CN1C(=O)CN=C1c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-1-methyl-4H-imidazol-5-one?
The InChIKey is CKDFOKFBTWQHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c1-15-9(16)6-14-10(15)7-2-4-8(5-3-7)17-11(12)13/h2-5,11H,6H2,1H3.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-1-methyl-4H-imidazol-5-one?
2-[4-(difluoromethoxy)phenyl]-1-methyl-4H-imidazol-5-one has a molecular weight of 240.21 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-1-methyl-4H-imidazol-5-one is sourced from PubChem (CID 154459598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).