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

C12H14FN3O — CID 79967494

IUPAC5-amino-4-(4-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one
SMILESCC(C)N1C(=O)N=C(N)C1c1ccc(F)cc1
InChIInChI=1S/C12H14FN3O/c1-7(2)16-10(11(14)15-12(16)17)8-3-5-9(13)6-4-8/h3-7,10H,1-2H3,(H2,14,15,17)
InChIKeyBLRVHTYTHUIQCM-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.07
Rot. Bonds2

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

5-amino-4-(4-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one (PubChem CID 79967494) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 5-amino-4-(4-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(4-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one
PubChem CID79967494
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name5-amino-4-(4-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one
SMILESCC(C)N1C(=O)N=C(N)C1c1ccc(F)cc1
InChIInChI=1S/C12H14FN3O/c1-7(2)16-10(11(14)15-12(16)17)8-3-5-9(13)6-4-8/h3-7,10H,1-2H3,(H2,14,15,17)
InChIKeyBLRVHTYTHUIQCM-UHFFFAOYSA-N
XLogP2.07
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

5-amino-3-propan-2-yl-4-(4-propan-2-yloxyphenyl)-4H-imidazol-2-one
CID 79967942
5-amino-4-(4-fluorophenyl)-3-methyl-4H-imidazol-2-one
CID 79960327
5-amino-4-(3-methylphenyl)-3-propan-2-yl-4H-imidazol-2-one
CID 79967121
5-amino-4-(3-methoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one
CID 79967392
5-amino-3-propan-2-yl-4-(3-propan-2-yloxyphenyl)-4H-imidazol-2-one
CID 79967024
5-amino-4-(4-bromophenyl)-3-but-3-yn-2-yl-4H-imidazol-2-one
CID 114420765
5-amino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-propan-2-yl-4H-imidazol-2-one
CID 79972360
5-amino-4-(5-ethylthiophen-2-yl)-3-propan-2-yl-4H-imidazol-2-one
CID 79968353
5-amino-3-but-3-yn-2-yl-4-(3-chloro-5-fluorophenyl)-4H-imidazol-2-one
CID 114455194
5-amino-4-[4-(difluoromethyl)phenyl]-3-ethyl-4H-imidazol-2-one
CID 113328663
5-amino-3-ethyl-4-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-one
CID 79967736
5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione
CID 167944080

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(4-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one (CID 79967494) is 5-amino-4-(4-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(4-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(4-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one is CC(C)N1C(=O)N=C(N)C1c1ccc(F)cc1.
What is the InChIKey of 5-amino-4-(4-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one?
The InChIKey is BLRVHTYTHUIQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-7(2)16-10(11(14)15-12(16)17)8-3-5-9(13)6-4-8/h3-7,10H,1-2H3,(H2,14,15,17).
What are the key properties of 5-amino-4-(4-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one?
5-amino-4-(4-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one has a molecular weight of 235.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one is sourced from PubChem (CID 79967494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).