2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one

C19H20ClN3O — CID 59262564

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one
SMILESCC(C)C1(c2cccc(-c3cccc(Cl)c3)c2)N=C(N)N(C)C1=O
InChIInChI=1S/C19H20ClN3O/c1-12(2)19(17(24)23(3)18(21)22-19)15-8-4-6-13(10-15)14-7-5-9-16(20)11-14/h4-12H,1-3H3,(H2,21,22)
InChIKeyVWORSAPPCITGHN-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.64
Rot. Bonds3

About 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one

2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one (PubChem CID 59262564) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one
PubChem CID59262564
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one
SMILESCC(C)C1(c2cccc(-c3cccc(Cl)c3)c2)N=C(N)N(C)C1=O
InChIInChI=1S/C19H20ClN3O/c1-12(2)19(17(24)23(3)18(21)22-19)15-8-4-6-13(10-15)14-7-5-9-16(20)11-14/h4-12H,1-3H3,(H2,21,22)
InChIKeyVWORSAPPCITGHN-UHFFFAOYSA-N
XLogP3.64
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one (CID 59262564) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one is CC(C)C1(c2cccc(-c3cccc(Cl)c3)c2)N=C(N)N(C)C1=O.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one?
The InChIKey is VWORSAPPCITGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-12(2)19(17(24)23(3)18(21)22-19)15-8-4-6-13(10-15)14-7-5-9-16(20)11-14/h4-12H,1-3H3,(H2,21,22).
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one?
2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one has a molecular weight of 341.84 g/mol, XLogP of 3.64, 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]-3-methyl-5-propan-2-ylimidazol-4-one is sourced from PubChem (CID 59262564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).