2-amino-5-[2-(3-bromophenyl)ethyl]-3-methyl-5-phenylimidazol-4-one

C18H18BrN3O — CID 25063825

IUPAC2-amino-5-[2-(3-bromophenyl)ethyl]-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)C(CCc2cccc(Br)c2)(c2ccccc2)N=C1N
InChIInChI=1S/C18H18BrN3O/c1-22-16(23)18(21-17(22)20,14-7-3-2-4-8-14)11-10-13-6-5-9-15(19)12-13/h2-9,12H,10-11H2,1H3,(H2,20,21)
InChIKeyHKLZJEQMWCFTQZ-UHFFFAOYSA-N
MW372.27 g/mol
LogP3.06
Rot. Bonds4

About 2-amino-5-[2-(3-bromophenyl)ethyl]-3-methyl-5-phenylimidazol-4-one

2-amino-5-[2-(3-bromophenyl)ethyl]-3-methyl-5-phenylimidazol-4-one (PubChem CID 25063825) has the molecular formula C18H18BrN3O and a molecular weight of 372.27 g/mol. Its IUPAC name is 2-amino-5-[2-(3-bromophenyl)ethyl]-3-methyl-5-phenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[2-(3-bromophenyl)ethyl]-3-methyl-5-phenylimidazol-4-one
PubChem CID25063825
Molecular FormulaC18H18BrN3O
Molecular Weight372.27 g/mol
Exact Mass371.06
IUPAC Name2-amino-5-[2-(3-bromophenyl)ethyl]-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)C(CCc2cccc(Br)c2)(c2ccccc2)N=C1N
InChIInChI=1S/C18H18BrN3O/c1-22-16(23)18(21-17(22)20,14-7-3-2-4-8-14)11-10-13-6-5-9-15(19)12-13/h2-9,12H,10-11H2,1H3,(H2,20,21)
InChIKeyHKLZJEQMWCFTQZ-UHFFFAOYSA-N
XLogP3.06
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(3-bromophenyl)ethyl]-3-methyl-5-phenylimidazol-4-one?
The IUPAC name of 2-amino-5-[2-(3-bromophenyl)ethyl]-3-methyl-5-phenylimidazol-4-one (CID 25063825) is 2-amino-5-[2-(3-bromophenyl)ethyl]-3-methyl-5-phenylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[2-(3-bromophenyl)ethyl]-3-methyl-5-phenylimidazol-4-one?
The canonical SMILES for 2-amino-5-[2-(3-bromophenyl)ethyl]-3-methyl-5-phenylimidazol-4-one is CN1C(=O)C(CCc2cccc(Br)c2)(c2ccccc2)N=C1N.
What is the InChIKey of 2-amino-5-[2-(3-bromophenyl)ethyl]-3-methyl-5-phenylimidazol-4-one?
The InChIKey is HKLZJEQMWCFTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O/c1-22-16(23)18(21-17(22)20,14-7-3-2-4-8-14)11-10-13-6-5-9-15(19)12-13/h2-9,12H,10-11H2,1H3,(H2,20,21).
What are the key properties of 2-amino-5-[2-(3-bromophenyl)ethyl]-3-methyl-5-phenylimidazol-4-one?
2-amino-5-[2-(3-bromophenyl)ethyl]-3-methyl-5-phenylimidazol-4-one has a molecular weight of 372.27 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(3-bromophenyl)ethyl]-3-methyl-5-phenylimidazol-4-one is sourced from PubChem (CID 25063825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).