4-amino-5-[(3-fluorophenyl)methyl]-5-methyl-1-propan-2-ylimidazol-2-one

C14H18FN3O — CID 114835196

IUPAC4-amino-5-[(3-fluorophenyl)methyl]-5-methyl-1-propan-2-ylimidazol-2-one
SMILESCC(C)N1C(=O)N=C(N)C1(C)Cc1cccc(F)c1
InChIInChI=1S/C14H18FN3O/c1-9(2)18-13(19)17-12(16)14(18,3)8-10-5-4-6-11(15)7-10/h4-7,9H,8H2,1-3H3,(H2,16,17,19)
InChIKeyGIZXZENWDVQIEH-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.33
Rot. Bonds3

About 4-amino-5-[(3-fluorophenyl)methyl]-5-methyl-1-propan-2-ylimidazol-2-one

4-amino-5-[(3-fluorophenyl)methyl]-5-methyl-1-propan-2-ylimidazol-2-one (PubChem CID 114835196) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-amino-5-[(3-fluorophenyl)methyl]-5-methyl-1-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-[(3-fluorophenyl)methyl]-5-methyl-1-propan-2-ylimidazol-2-one
PubChem CID114835196
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name4-amino-5-[(3-fluorophenyl)methyl]-5-methyl-1-propan-2-ylimidazol-2-one
SMILESCC(C)N1C(=O)N=C(N)C1(C)Cc1cccc(F)c1
InChIInChI=1S/C14H18FN3O/c1-9(2)18-13(19)17-12(16)14(18,3)8-10-5-4-6-11(15)7-10/h4-7,9H,8H2,1-3H3,(H2,16,17,19)
InChIKeyGIZXZENWDVQIEH-UHFFFAOYSA-N
XLogP2.33
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-amino-5-[(3-fluorophenyl)methyl]-5-methyl-1-propan-2-ylimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 94191065
1-[(3-fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 66765108
1-[(3-fluorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134126228
1-(3-fluorophenyl)-3-methylsulfonylpropan-2-amine
CID 62473637
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473
(2R)-4-(3-fluorophenyl)butan-2-amine
CID 22831507
3-[(3-fluorophenyl)methyl]-1-methylpyrazol-5-amine
CID 115092972
2-(3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 66475957
2-[(3-fluorophenyl)methyl]-5,6-dimethyl-1H-pyrimidine-2,4-diamine
CID 154168112
1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene
CID 84717270
1-(3-fluorophenyl)-3-hydroxy-4-methylpentan-2-one
CID 103455309
1-[(3-fluorophenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione
CID 64875476

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(3-fluorophenyl)methyl]-5-methyl-1-propan-2-ylimidazol-2-one?
The IUPAC name of 4-amino-5-[(3-fluorophenyl)methyl]-5-methyl-1-propan-2-ylimidazol-2-one (CID 114835196) is 4-amino-5-[(3-fluorophenyl)methyl]-5-methyl-1-propan-2-ylimidazol-2-one.
What is the SMILES notation for 4-amino-5-[(3-fluorophenyl)methyl]-5-methyl-1-propan-2-ylimidazol-2-one?
The canonical SMILES for 4-amino-5-[(3-fluorophenyl)methyl]-5-methyl-1-propan-2-ylimidazol-2-one is CC(C)N1C(=O)N=C(N)C1(C)Cc1cccc(F)c1.
What is the InChIKey of 4-amino-5-[(3-fluorophenyl)methyl]-5-methyl-1-propan-2-ylimidazol-2-one?
The InChIKey is GIZXZENWDVQIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-9(2)18-13(19)17-12(16)14(18,3)8-10-5-4-6-11(15)7-10/h4-7,9H,8H2,1-3H3,(H2,16,17,19).
What are the key properties of 4-amino-5-[(3-fluorophenyl)methyl]-5-methyl-1-propan-2-ylimidazol-2-one?
4-amino-5-[(3-fluorophenyl)methyl]-5-methyl-1-propan-2-ylimidazol-2-one has a molecular weight of 263.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(3-fluorophenyl)methyl]-5-methyl-1-propan-2-ylimidazol-2-one is sourced from PubChem (CID 114835196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).