5-amino-3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-4H-imidazol-2-one

C13H13F2N3O2 — CID 79961761

IUPAC5-amino-3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-4H-imidazol-2-one
SMILESNC1=NC(=O)N(C2CC2)C1c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H13F2N3O2/c14-12(15)20-9-5-1-7(2-6-9)10-11(16)17-13(19)18(10)8-3-4-8/h1-2,5-6,8,10,12H,3-4H2,(H2,16,17,19)
InChIKeyMOMFKDJROXGEIR-UHFFFAOYSA-N
MW281.26 g/mol
LogP2.28
Rot. Bonds4

About 5-amino-3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-4H-imidazol-2-one

5-amino-3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-4H-imidazol-2-one (PubChem CID 79961761) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is 5-amino-3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-4H-imidazol-2-one
PubChem CID79961761
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC Name5-amino-3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-4H-imidazol-2-one
SMILESNC1=NC(=O)N(C2CC2)C1c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H13F2N3O2/c14-12(15)20-9-5-1-7(2-6-9)10-11(16)17-13(19)18(10)8-3-4-8/h1-2,5-6,8,10,12H,3-4H2,(H2,16,17,19)
InChIKeyMOMFKDJROXGEIR-UHFFFAOYSA-N
XLogP2.28
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-4H-imidazol-2-one (CID 79961761) is 5-amino-3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-4H-imidazol-2-one is NC1=NC(=O)N(C2CC2)C1c1ccc(OC(F)F)cc1.
What is the InChIKey of 5-amino-3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-4H-imidazol-2-one?
The InChIKey is MOMFKDJROXGEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c14-12(15)20-9-5-1-7(2-6-9)10-11(16)17-13(19)18(10)8-3-4-8/h1-2,5-6,8,10,12H,3-4H2,(H2,16,17,19).
What are the key properties of 5-amino-3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-4H-imidazol-2-one?
5-amino-3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-4H-imidazol-2-one has a molecular weight of 281.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-4H-imidazol-2-one is sourced from PubChem (CID 79961761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).