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

C18H18ClN3O — CID 59262465

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-5-ethyl-3-methylimidazol-4-one
SMILESCCC1(c2cccc(-c3cccc(Cl)c3)c2)N=C(N)N(C)C1=O
InChIInChI=1S/C18H18ClN3O/c1-3-18(16(23)22(2)17(20)21-18)14-8-4-6-12(10-14)13-7-5-9-15(19)11-13/h4-11H,3H2,1-2H3,(H2,20,21)
InChIKeyJDGYHXLXMUDRKO-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.40
Rot. Bonds3

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

2-amino-5-[3-(3-chlorophenyl)phenyl]-5-ethyl-3-methylimidazol-4-one (PubChem CID 59262465) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-ethyl-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-ethyl-3-methylimidazol-4-one
PubChem CID59262465
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-ethyl-3-methylimidazol-4-one
SMILESCCC1(c2cccc(-c3cccc(Cl)c3)c2)N=C(N)N(C)C1=O
InChIInChI=1S/C18H18ClN3O/c1-3-18(16(23)22(2)17(20)21-18)14-8-4-6-12(10-14)13-7-5-9-15(19)11-13/h4-11H,3H2,1-2H3,(H2,20,21)
InChIKeyJDGYHXLXMUDRKO-UHFFFAOYSA-N
XLogP3.40
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.40
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-ethyl-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-ethyl-3-methylimidazol-4-one (CID 59262465) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-ethyl-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-ethyl-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-ethyl-3-methylimidazol-4-one is CCC1(c2cccc(-c3cccc(Cl)c3)c2)N=C(N)N(C)C1=O.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-ethyl-3-methylimidazol-4-one?
The InChIKey is JDGYHXLXMUDRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-3-18(16(23)22(2)17(20)21-18)14-8-4-6-12(10-14)13-7-5-9-15(19)11-13/h4-11H,3H2,1-2H3,(H2,20,21).
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-ethyl-3-methylimidazol-4-one?
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-ethyl-3-methylimidazol-4-one has a molecular weight of 327.82 g/mol, XLogP of 3.40, 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-ethyl-3-methylimidazol-4-one is sourced from PubChem (CID 59262465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).