2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one

C20H20ClN3O — CID 59262444

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CCC2)N=C1N
InChIInChI=1S/C20H20ClN3O/c1-24-18(25)20(23-19(24)22,15-7-4-8-15)16-9-2-5-13(11-16)14-6-3-10-17(21)12-14/h2-3,5-6,9-12,15H,4,7-8H2,1H3,(H2,22,23)
InChIKeyVZGLDYSDFDRZHL-UHFFFAOYSA-N
MW353.85 g/mol
LogP3.79
Rot. Bonds3

About 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one

2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one (PubChem CID 59262444) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one
PubChem CID59262444
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CCC2)N=C1N
InChIInChI=1S/C20H20ClN3O/c1-24-18(25)20(23-19(24)22,15-7-4-8-15)16-9-2-5-13(11-16)14-6-3-10-17(21)12-14/h2-3,5-6,9-12,15H,4,7-8H2,1H3,(H2,22,23)
InChIKeyVZGLDYSDFDRZHL-UHFFFAOYSA-N
XLogP3.79
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one (CID 59262444) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one is CN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CCC2)N=C1N.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one?
The InChIKey is VZGLDYSDFDRZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-24-18(25)20(23-19(24)22,15-7-4-8-15)16-9-2-5-13(11-16)14-6-3-10-17(21)12-14/h2-3,5-6,9-12,15H,4,7-8H2,1H3,(H2,22,23).
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one?
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one has a molecular weight of 353.85 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one is sourced from PubChem (CID 59262444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).