2-(cyclopropylamino)-4-[4-(difluoromethyl)phenyl]-1,4-dihydroimidazol-5-one

C13H13F2N3O — CID 82999036

IUPAC2-(cyclopropylamino)-4-[4-(difluoromethyl)phenyl]-1,4-dihydroimidazol-5-one
SMILESO=C1NC(NC2CC2)=NC1c1ccc(C(F)F)cc1
InChIInChI=1S/C13H13F2N3O/c14-11(15)8-3-1-7(2-4-8)10-12(19)18-13(17-10)16-9-5-6-9/h1-4,9-11H,5-6H2,(H2,16,17,18,19)
InChIKeyFPMMVQLIWDMCTP-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.90
Rot. Bonds3

About 2-(cyclopropylamino)-4-[4-(difluoromethyl)phenyl]-1,4-dihydroimidazol-5-one

2-(cyclopropylamino)-4-[4-(difluoromethyl)phenyl]-1,4-dihydroimidazol-5-one (PubChem CID 82999036) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[4-(difluoromethyl)phenyl]-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[4-(difluoromethyl)phenyl]-1,4-dihydroimidazol-5-one
PubChem CID82999036
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-(cyclopropylamino)-4-[4-(difluoromethyl)phenyl]-1,4-dihydroimidazol-5-one
SMILESO=C1NC(NC2CC2)=NC1c1ccc(C(F)F)cc1
InChIInChI=1S/C13H13F2N3O/c14-11(15)8-3-1-7(2-4-8)10-12(19)18-13(17-10)16-9-5-6-9/h1-4,9-11H,5-6H2,(H2,16,17,18,19)
InChIKeyFPMMVQLIWDMCTP-UHFFFAOYSA-N
XLogP1.90
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[4-(difluoromethyl)phenyl]-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(cyclopropylamino)-4-[4-(difluoromethyl)phenyl]-1,4-dihydroimidazol-5-one (CID 82999036) is 2-(cyclopropylamino)-4-[4-(difluoromethyl)phenyl]-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(cyclopropylamino)-4-[4-(difluoromethyl)phenyl]-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(cyclopropylamino)-4-[4-(difluoromethyl)phenyl]-1,4-dihydroimidazol-5-one is O=C1NC(NC2CC2)=NC1c1ccc(C(F)F)cc1.
What is the InChIKey of 2-(cyclopropylamino)-4-[4-(difluoromethyl)phenyl]-1,4-dihydroimidazol-5-one?
The InChIKey is FPMMVQLIWDMCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c14-11(15)8-3-1-7(2-4-8)10-12(19)18-13(17-10)16-9-5-6-9/h1-4,9-11H,5-6H2,(H2,16,17,18,19).
What are the key properties of 2-(cyclopropylamino)-4-[4-(difluoromethyl)phenyl]-1,4-dihydroimidazol-5-one?
2-(cyclopropylamino)-4-[4-(difluoromethyl)phenyl]-1,4-dihydroimidazol-5-one has a molecular weight of 265.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[4-(difluoromethyl)phenyl]-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 82999036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).