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

C16H14ClN3O — CID 45488113

IUPAC2-amino-5-(3-chlorophenyl)-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(Cl)c2)N=C1N
InChIInChI=1S/C16H14ClN3O/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)
InChIKeyQWEOCJPATDOXQJ-UHFFFAOYSA-N
MW299.76 g/mol
LogP2.37
Rot. Bonds2

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

2-amino-5-(3-chlorophenyl)-3-methyl-5-phenylimidazol-4-one (PubChem CID 45488113) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-amino-5-(3-chlorophenyl)-3-methyl-5-phenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(3-chlorophenyl)-3-methyl-5-phenylimidazol-4-one
PubChem CID45488113
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name2-amino-5-(3-chlorophenyl)-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(Cl)c2)N=C1N
InChIInChI=1S/C16H14ClN3O/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)
InChIKeyQWEOCJPATDOXQJ-UHFFFAOYSA-N
XLogP2.37
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 52.37
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-chlorophenyl)-3-methyl-5-phenylimidazol-4-one?
The IUPAC name of 2-amino-5-(3-chlorophenyl)-3-methyl-5-phenylimidazol-4-one (CID 45488113) is 2-amino-5-(3-chlorophenyl)-3-methyl-5-phenylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(3-chlorophenyl)-3-methyl-5-phenylimidazol-4-one?
The canonical SMILES for 2-amino-5-(3-chlorophenyl)-3-methyl-5-phenylimidazol-4-one is CN1C(=O)C(c2ccccc2)(c2cccc(Cl)c2)N=C1N.
What is the InChIKey of 2-amino-5-(3-chlorophenyl)-3-methyl-5-phenylimidazol-4-one?
The InChIKey is QWEOCJPATDOXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/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-chlorophenyl)-3-methyl-5-phenylimidazol-4-one?
2-amino-5-(3-chlorophenyl)-3-methyl-5-phenylimidazol-4-one has a molecular weight of 299.76 g/mol, XLogP of 2.37, 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-chlorophenyl)-3-methyl-5-phenylimidazol-4-one is sourced from PubChem (CID 45488113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).