5-amino-4-[4-(difluoromethyl)phenyl]-3-ethyl-4H-imidazol-2-one

C12H13F2N3O — CID 113328663

IUPAC5-amino-4-[4-(difluoromethyl)phenyl]-3-ethyl-4H-imidazol-2-one
SMILESCCN1C(=O)N=C(N)C1c1ccc(C(F)F)cc1
InChIInChI=1S/C12H13F2N3O/c1-2-17-9(11(15)16-12(17)18)7-3-5-8(6-4-7)10(13)14/h3-6,9-10H,2H2,1H3,(H2,15,16,18)
InChIKeyRVNHMXMJSWIEAM-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.48
Rot. Bonds3

About 5-amino-4-[4-(difluoromethyl)phenyl]-3-ethyl-4H-imidazol-2-one

5-amino-4-[4-(difluoromethyl)phenyl]-3-ethyl-4H-imidazol-2-one (PubChem CID 113328663) has the molecular formula C12H13F2N3O and a molecular weight of 253.25 g/mol. Its IUPAC name is 5-amino-4-[4-(difluoromethyl)phenyl]-3-ethyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-[4-(difluoromethyl)phenyl]-3-ethyl-4H-imidazol-2-one
PubChem CID113328663
Molecular FormulaC12H13F2N3O
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name5-amino-4-[4-(difluoromethyl)phenyl]-3-ethyl-4H-imidazol-2-one
SMILESCCN1C(=O)N=C(N)C1c1ccc(C(F)F)cc1
InChIInChI=1S/C12H13F2N3O/c1-2-17-9(11(15)16-12(17)18)7-3-5-8(6-4-7)10(13)14/h3-6,9-10H,2H2,1H3,(H2,15,16,18)
InChIKeyRVNHMXMJSWIEAM-UHFFFAOYSA-N
XLogP2.48
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-4-[4-(difluoromethyl)phenyl]-3-prop-2-ynyl-4H-imidazol-2-one
CID 115525853
5-amino-3-ethyl-4-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-one
CID 79967736
5-amino-3-ethyl-4-(6-methoxy-3-pyridinyl)-4H-imidazol-2-one
CID 114939050
5-amino-3-ethyl-4-(2-methylquinolin-6-yl)-4H-imidazol-2-one
CID 105379816
5-amino-3-ethyl-4-(2-fluorophenyl)-4H-imidazol-2-one
CID 79961456
5-amino-4-[3-(difluoromethyl)phenyl]-3-prop-2-enyl-4H-imidazol-2-one
CID 115530438
5-amino-3-ethyl-4-(2-ethylphenyl)-4H-imidazol-2-one
CID 79967176
5-amino-4-(2,4-difluorophenyl)-3-ethyl-4H-imidazol-2-one
CID 79967737
5-amino-3-benzyl-4-[4-(2-methylpropyl)phenyl]-4H-imidazol-2-one
CID 113254024
5-amino-3-ethyl-4-naphthalen-1-yl-4H-imidazol-2-one
CID 79961258
5-amino-4-(4-ethylphenyl)-3-prop-2-ynyl-4H-imidazol-2-one
CID 79967439
5-amino-4-(1,3-dimethylpyrazol-4-yl)-3-ethyl-4H-imidazol-2-one
CID 83095040

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[4-(difluoromethyl)phenyl]-3-ethyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-[4-(difluoromethyl)phenyl]-3-ethyl-4H-imidazol-2-one (CID 113328663) is 5-amino-4-[4-(difluoromethyl)phenyl]-3-ethyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-[4-(difluoromethyl)phenyl]-3-ethyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-[4-(difluoromethyl)phenyl]-3-ethyl-4H-imidazol-2-one is CCN1C(=O)N=C(N)C1c1ccc(C(F)F)cc1.
What is the InChIKey of 5-amino-4-[4-(difluoromethyl)phenyl]-3-ethyl-4H-imidazol-2-one?
The InChIKey is RVNHMXMJSWIEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O/c1-2-17-9(11(15)16-12(17)18)7-3-5-8(6-4-7)10(13)14/h3-6,9-10H,2H2,1H3,(H2,15,16,18).
What are the key properties of 5-amino-4-[4-(difluoromethyl)phenyl]-3-ethyl-4H-imidazol-2-one?
5-amino-4-[4-(difluoromethyl)phenyl]-3-ethyl-4H-imidazol-2-one has a molecular weight of 253.25 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[4-(difluoromethyl)phenyl]-3-ethyl-4H-imidazol-2-one is sourced from PubChem (CID 113328663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).