2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one

C17H16ClN3O — CID 11738522

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one
SMILESCN1C(=O)C(C)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N
InChIInChI=1S/C17H16ClN3O/c1-17(15(22)21(2)16(19)20-17)13-7-3-5-11(9-13)12-6-4-8-14(18)10-12/h3-10H,1-2H3,(H2,19,20)
InChIKeyNOHPEKSBDPSXOM-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.01
Rot. Bonds2

About 2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one

2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one (PubChem CID 11738522) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one
PubChem CID11738522
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one
SMILESCN1C(=O)C(C)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N
InChIInChI=1S/C17H16ClN3O/c1-17(15(22)21(2)16(19)20-17)13-7-3-5-11(9-13)12-6-4-8-14(18)10-12/h3-10H,1-2H3,(H2,19,20)
InChIKeyNOHPEKSBDPSXOM-UHFFFAOYSA-N
XLogP3.01
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.01
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]-3,5-dimethylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one (CID 11738522) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one is CN1C(=O)C(C)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one?
The InChIKey is NOHPEKSBDPSXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-17(15(22)21(2)16(19)20-17)13-7-3-5-11(9-13)12-6-4-8-14(18)10-12/h3-10H,1-2H3,(H2,19,20).
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one?
2-amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one has a molecular weight of 313.79 g/mol, XLogP of 3.01, 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-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one is sourced from PubChem (CID 11738522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).