2-amino-5-(3-fluorophenyl)-3-methyl-5-phenylimidazol-4-one

C16H14FN3O — CID 70683157

IUPAC2-amino-5-(3-fluorophenyl)-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(F)c2)N=C1N
InChIInChI=1S/C16H14FN3O/c1-20-14(21)16(19-15(20)18,11-6-3-2-4-7-11)12-8-5-9-13(17)10-12/h2-10H,1H3,(H2,18,19)
InChIKeyXEZWCKXEXWXVTI-UHFFFAOYSA-N
MW283.31 g/mol
LogP1.86
Rot. Bonds2

About 2-amino-5-(3-fluorophenyl)-3-methyl-5-phenylimidazol-4-one

2-amino-5-(3-fluorophenyl)-3-methyl-5-phenylimidazol-4-one (PubChem CID 70683157) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-amino-5-(3-fluorophenyl)-3-methyl-5-phenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(3-fluorophenyl)-3-methyl-5-phenylimidazol-4-one
PubChem CID70683157
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name2-amino-5-(3-fluorophenyl)-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(F)c2)N=C1N
InChIInChI=1S/C16H14FN3O/c1-20-14(21)16(19-15(20)18,11-6-3-2-4-7-11)12-8-5-9-13(17)10-12/h2-10H,1H3,(H2,18,19)
InChIKeyXEZWCKXEXWXVTI-UHFFFAOYSA-N
XLogP1.86
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11738522
CID 16050640
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CID 16050834
CID 16050834
CID 16050931
CID 16050931
CID 16051038
CID 16051038
CID 16051040
CID 16051040
CID 44530523
CID 44530523
CID 44530658
CID 44530658

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-fluorophenyl)-3-methyl-5-phenylimidazol-4-one?
The IUPAC name of 2-amino-5-(3-fluorophenyl)-3-methyl-5-phenylimidazol-4-one (CID 70683157) is 2-amino-5-(3-fluorophenyl)-3-methyl-5-phenylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(3-fluorophenyl)-3-methyl-5-phenylimidazol-4-one?
The canonical SMILES for 2-amino-5-(3-fluorophenyl)-3-methyl-5-phenylimidazol-4-one is CN1C(=O)C(c2ccccc2)(c2cccc(F)c2)N=C1N.
What is the InChIKey of 2-amino-5-(3-fluorophenyl)-3-methyl-5-phenylimidazol-4-one?
The InChIKey is XEZWCKXEXWXVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-20-14(21)16(19-15(20)18,11-6-3-2-4-7-11)12-8-5-9-13(17)10-12/h2-10H,1H3,(H2,18,19).
What are the key properties of 2-amino-5-(3-fluorophenyl)-3-methyl-5-phenylimidazol-4-one?
2-amino-5-(3-fluorophenyl)-3-methyl-5-phenylimidazol-4-one has a molecular weight of 283.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-fluorophenyl)-3-methyl-5-phenylimidazol-4-one is sourced from PubChem (CID 70683157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).