4-amino-5-[(2-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazol-2-one

C15H20FN3O — CID 114835186

IUPAC4-amino-5-[(2-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazol-2-one
SMILESCC(C)CN1C(=O)N=C(N)C1(C)Cc1ccccc1F
InChIInChI=1S/C15H20FN3O/c1-10(2)9-19-14(20)18-13(17)15(19,3)8-11-6-4-5-7-12(11)16/h4-7,10H,8-9H2,1-3H3,(H2,17,18,20)
InChIKeyVLKSSLMSVAOPPE-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.58
Rot. Bonds4

About 4-amino-5-[(2-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazol-2-one

4-amino-5-[(2-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazol-2-one (PubChem CID 114835186) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 4-amino-5-[(2-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazol-2-one.

Molecular Properties

Compound Name4-amino-5-[(2-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazol-2-one
PubChem CID114835186
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name4-amino-5-[(2-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazol-2-one
SMILESCC(C)CN1C(=O)N=C(N)C1(C)Cc1ccccc1F
InChIInChI=1S/C15H20FN3O/c1-10(2)9-19-14(20)18-13(17)15(19,3)8-11-6-4-5-7-12(11)16/h4-7,10H,8-9H2,1-3H3,(H2,17,18,20)
InChIKeyVLKSSLMSVAOPPE-UHFFFAOYSA-N
XLogP2.58
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(2-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazol-2-one?
The IUPAC name of 4-amino-5-[(2-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazol-2-one (CID 114835186) is 4-amino-5-[(2-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazol-2-one.
What is the SMILES notation for 4-amino-5-[(2-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazol-2-one?
The canonical SMILES for 4-amino-5-[(2-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazol-2-one is CC(C)CN1C(=O)N=C(N)C1(C)Cc1ccccc1F.
What is the InChIKey of 4-amino-5-[(2-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazol-2-one?
The InChIKey is VLKSSLMSVAOPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-10(2)9-19-14(20)18-13(17)15(19,3)8-11-6-4-5-7-12(11)16/h4-7,10H,8-9H2,1-3H3,(H2,17,18,20).
What are the key properties of 4-amino-5-[(2-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazol-2-one?
4-amino-5-[(2-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazol-2-one has a molecular weight of 277.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(2-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)imidazol-2-one is sourced from PubChem (CID 114835186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).