5-amino-4-(3-fluorophenyl)-3-propyl-4H-imidazol-2-one

C12H14FN3O — CID 79959461

IUPAC5-amino-4-(3-fluorophenyl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1cccc(F)c1
InChIInChI=1S/C12H14FN3O/c1-2-6-16-10(11(14)15-12(16)17)8-4-3-5-9(13)7-8/h3-5,7,10H,2,6H2,1H3,(H2,14,15,17)
InChIKeyJKFFNKWXLPAOBJ-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.07
Rot. Bonds3

About 5-amino-4-(3-fluorophenyl)-3-propyl-4H-imidazol-2-one

5-amino-4-(3-fluorophenyl)-3-propyl-4H-imidazol-2-one (PubChem CID 79959461) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 5-amino-4-(3-fluorophenyl)-3-propyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(3-fluorophenyl)-3-propyl-4H-imidazol-2-one
PubChem CID79959461
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name5-amino-4-(3-fluorophenyl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1cccc(F)c1
InChIInChI=1S/C12H14FN3O/c1-2-6-16-10(11(14)15-12(16)17)8-4-3-5-9(13)7-8/h3-5,7,10H,2,6H2,1H3,(H2,14,15,17)
InChIKeyJKFFNKWXLPAOBJ-UHFFFAOYSA-N
XLogP2.07
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)benzonitrile
CID 79961947
5-amino-4-(2-bromo-5-fluorophenyl)-3-propyl-4H-imidazol-2-one
CID 114077617
5-amino-4-(6-methyl-3-pyridinyl)-3-propyl-4H-imidazol-2-one
CID 104824163
5-amino-4-(2,4-difluorophenyl)-3-ethyl-4H-imidazol-2-one
CID 79967737
5-amino-3-(cyclopropylmethyl)-4-(3-propoxyphenyl)-4H-imidazol-2-one
CID 79967643
5-amino-4-(4-bromothiophen-2-yl)-3-propyl-4H-imidazol-2-one
CID 79959888
5-amino-4-(4,5-dibromothiophen-2-yl)-3-propyl-4H-imidazol-2-one
CID 102845835
2-(3-fluorophenyl)-5-propan-2-yl-3-propylimidazolidin-4-one
CID 83242425
5-amino-4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propyl-4H-imidazol-2-one
CID 79960816
5-amino-4-[3-(difluoromethyl)phenyl]-3-prop-2-enyl-4H-imidazol-2-one
CID 115530438
5-amino-3-ethyl-4-(2-methylquinolin-6-yl)-4H-imidazol-2-one
CID 105379816
5-amino-4-(3-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one
CID 79968106

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-fluorophenyl)-3-propyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(3-fluorophenyl)-3-propyl-4H-imidazol-2-one (CID 79959461) is 5-amino-4-(3-fluorophenyl)-3-propyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(3-fluorophenyl)-3-propyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(3-fluorophenyl)-3-propyl-4H-imidazol-2-one is CCCN1C(=O)N=C(N)C1c1cccc(F)c1.
What is the InChIKey of 5-amino-4-(3-fluorophenyl)-3-propyl-4H-imidazol-2-one?
The InChIKey is JKFFNKWXLPAOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-2-6-16-10(11(14)15-12(16)17)8-4-3-5-9(13)7-8/h3-5,7,10H,2,6H2,1H3,(H2,14,15,17).
What are the key properties of 5-amino-4-(3-fluorophenyl)-3-propyl-4H-imidazol-2-one?
5-amino-4-(3-fluorophenyl)-3-propyl-4H-imidazol-2-one has a molecular weight of 235.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-fluorophenyl)-3-propyl-4H-imidazol-2-one is sourced from PubChem (CID 79959461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).