1-[2-amino-2-(4-fluorophenyl)ethyl]-3-propan-2-ylimidazol-2-one

C14H18FN3O — CID 107522959

IUPAC1-[2-amino-2-(4-fluorophenyl)ethyl]-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CC(N)c2ccc(F)cc2)c1=O
InChIInChI=1S/C14H18FN3O/c1-10(2)18-8-7-17(14(18)19)9-13(16)11-3-5-12(15)6-4-11/h3-8,10,13H,9,16H2,1-2H3
InChIKeyUVVPGQALGCFUSL-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.07
Rot. Bonds4

About 1-[2-amino-2-(4-fluorophenyl)ethyl]-3-propan-2-ylimidazol-2-one

1-[2-amino-2-(4-fluorophenyl)ethyl]-3-propan-2-ylimidazol-2-one (PubChem CID 107522959) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-[2-amino-2-(4-fluorophenyl)ethyl]-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-[2-amino-2-(4-fluorophenyl)ethyl]-3-propan-2-ylimidazol-2-one
PubChem CID107522959
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-[2-amino-2-(4-fluorophenyl)ethyl]-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CC(N)c2ccc(F)cc2)c1=O
InChIInChI=1S/C14H18FN3O/c1-10(2)18-8-7-17(14(18)19)9-13(16)11-3-5-12(15)6-4-11/h3-8,10,13H,9,16H2,1-2H3
InChIKeyUVVPGQALGCFUSL-UHFFFAOYSA-N
XLogP2.07
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-fluoroanilino)ethyl]-3-propan-2-ylimidazol-2-one
CID 80582579
1-[4-(4-fluorophenyl)-4-oxobutyl]-3-propan-2-ylimidazol-2-one
CID 80580134
2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide
CID 116624943
1-[2-amino-2-(4-methylphenyl)ethyl]-3-propylimidazol-2-one
CID 80581654
1-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-3-propan-2-ylimidazol-2-one
CID 80579849
1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylimidazol-2-one
CID 80581913
4-fluoro-2-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]benzenecarbothioamide
CID 80581093
1-(4-fluorophenyl)-2-(3-methylpyrazol-1-yl)ethanamine
CID 107522751
1-[(2,6-dichlorophenyl)methyl]-3-propan-2-ylimidazol-2-one
CID 116624970
1-[2-amino-2-(2,5-difluorophenyl)ethyl]-3-propylimidazol-2-one
CID 107522950
1-[2-amino-2-(3,4-difluorophenyl)ethyl]-3-cyclopropylimidazol-2-one
CID 107522973
1-(4-fluorophenyl)pentane-1,4-diamine
CID 116934284

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(4-fluorophenyl)ethyl]-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-[2-amino-2-(4-fluorophenyl)ethyl]-3-propan-2-ylimidazol-2-one (CID 107522959) is 1-[2-amino-2-(4-fluorophenyl)ethyl]-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-[2-amino-2-(4-fluorophenyl)ethyl]-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-[2-amino-2-(4-fluorophenyl)ethyl]-3-propan-2-ylimidazol-2-one is CC(C)n1ccn(CC(N)c2ccc(F)cc2)c1=O.
What is the InChIKey of 1-[2-amino-2-(4-fluorophenyl)ethyl]-3-propan-2-ylimidazol-2-one?
The InChIKey is UVVPGQALGCFUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-10(2)18-8-7-17(14(18)19)9-13(16)11-3-5-12(15)6-4-11/h3-8,10,13H,9,16H2,1-2H3.
What are the key properties of 1-[2-amino-2-(4-fluorophenyl)ethyl]-3-propan-2-ylimidazol-2-one?
1-[2-amino-2-(4-fluorophenyl)ethyl]-3-propan-2-ylimidazol-2-one has a molecular weight of 263.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(4-fluorophenyl)ethyl]-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 107522959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).