5-amino-4-(2,6-difluorophenyl)-3-propyl-4H-imidazol-2-one

C12H13F2N3O — CID 79960070

IUPAC5-amino-4-(2,6-difluorophenyl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1c(F)cccc1F
InChIInChI=1S/C12H13F2N3O/c1-2-6-17-10(11(15)16-12(17)18)9-7(13)4-3-5-8(9)14/h3-5,10H,2,6H2,1H3,(H2,15,16,18)
InChIKeyGNGVCNKQRFXHPX-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.21
Rot. Bonds3

About 5-amino-4-(2,6-difluorophenyl)-3-propyl-4H-imidazol-2-one

5-amino-4-(2,6-difluorophenyl)-3-propyl-4H-imidazol-2-one (PubChem CID 79960070) has the molecular formula C12H13F2N3O and a molecular weight of 253.25 g/mol. Its IUPAC name is 5-amino-4-(2,6-difluorophenyl)-3-propyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(2,6-difluorophenyl)-3-propyl-4H-imidazol-2-one
PubChem CID79960070
Molecular FormulaC12H13F2N3O
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name5-amino-4-(2,6-difluorophenyl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1c(F)cccc1F
InChIInChI=1S/C12H13F2N3O/c1-2-6-17-10(11(15)16-12(17)18)9-7(13)4-3-5-8(9)14/h3-5,10H,2,6H2,1H3,(H2,15,16,18)
InChIKeyGNGVCNKQRFXHPX-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2,6-difluorophenyl)-3-propyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(2,6-difluorophenyl)-3-propyl-4H-imidazol-2-one (CID 79960070) is 5-amino-4-(2,6-difluorophenyl)-3-propyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(2,6-difluorophenyl)-3-propyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(2,6-difluorophenyl)-3-propyl-4H-imidazol-2-one is CCCN1C(=O)N=C(N)C1c1c(F)cccc1F.
What is the InChIKey of 5-amino-4-(2,6-difluorophenyl)-3-propyl-4H-imidazol-2-one?
The InChIKey is GNGVCNKQRFXHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O/c1-2-6-17-10(11(15)16-12(17)18)9-7(13)4-3-5-8(9)14/h3-5,10H,2,6H2,1H3,(H2,15,16,18).
What are the key properties of 5-amino-4-(2,6-difluorophenyl)-3-propyl-4H-imidazol-2-one?
5-amino-4-(2,6-difluorophenyl)-3-propyl-4H-imidazol-2-one has a molecular weight of 253.25 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2,6-difluorophenyl)-3-propyl-4H-imidazol-2-one is sourced from PubChem (CID 79960070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).