2-amino-5-[3-(3-chloro-4-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one

C22H17ClFN3O — CID 25063641

IUPAC2-amino-5-[3-(3-chloro-4-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(-c3ccc(F)c(Cl)c3)c2)N=C1N
InChIInChI=1S/C22H17ClFN3O/c1-27-20(28)22(26-21(27)25,16-7-3-2-4-8-16)17-9-5-6-14(12-17)15-10-11-19(24)18(23)13-15/h2-13H,1H3,(H2,25,26)
InChIKeyXZTXGFRKURFVCE-UHFFFAOYSA-N
MW393.85 g/mol
LogP4.18
Rot. Bonds3

About 2-amino-5-[3-(3-chloro-4-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one

2-amino-5-[3-(3-chloro-4-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one (PubChem CID 25063641) has the molecular formula C22H17ClFN3O and a molecular weight of 393.85 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chloro-4-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-chloro-4-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
PubChem CID25063641
Molecular FormulaC22H17ClFN3O
Molecular Weight393.85 g/mol
Exact Mass393.10
IUPAC Name2-amino-5-[3-(3-chloro-4-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(-c3ccc(F)c(Cl)c3)c2)N=C1N
InChIInChI=1S/C22H17ClFN3O/c1-27-20(28)22(26-21(27)25,16-7-3-2-4-8-16)17-9-5-6-14(12-17)15-10-11-19(24)18(23)13-15/h2-13H,1H3,(H2,25,26)
InChIKeyXZTXGFRKURFVCE-UHFFFAOYSA-N
XLogP4.18
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2'-amino-6-(3-chloro-5-fluorophenyl)-2,2,3'-trimethylspiro[3H-thiochromene-4,5'-imidazole]-4'-one
CID 71624581
2-Amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one
CID 11738522
2-amino-4-(3-chlorophenyl)-1-methyl-4-phenyl-1H-imidazol-5(4H)-one
CID 45488113
2-Amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopentyl-3-methylimidazol-4-one
CID 59262361
2-Amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one
CID 59262444
2-Amino-5-cyclopropyl-5-[3-(3,5-dichlorophenyl)phenyl]-3-methylimidazol-4-one
CID 59262464
2-Amino-5-[3-(3-chlorophenyl)phenyl]-5-ethyl-3-methylimidazol-4-one
CID 59262465
2-Amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one
CID 59262540
2-Amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one
CID 59262564
2-Amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclohexyl-3-methylimidazol-4-one
CID 59387534
2-Amino-5-[3-(3-chlorophenyl)phenyl]-5-(cyclopropylmethyl)-3-methylimidazol-4-one
CID 59387607
2-Amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-(1-methylcyclopropyl)imidazol-4-one
CID 59388490

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-chloro-4-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-chloro-4-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one (CID 25063641) is 2-amino-5-[3-(3-chloro-4-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-chloro-4-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-chloro-4-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one is CN1C(=O)C(c2ccccc2)(c2cccc(-c3ccc(F)c(Cl)c3)c2)N=C1N.
What is the InChIKey of 2-amino-5-[3-(3-chloro-4-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
The InChIKey is XZTXGFRKURFVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O/c1-27-20(28)22(26-21(27)25,16-7-3-2-4-8-16)17-9-5-6-14(12-17)15-10-11-19(24)18(23)13-15/h2-13H,1H3,(H2,25,26).
What are the key properties of 2-amino-5-[3-(3-chloro-4-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
2-amino-5-[3-(3-chloro-4-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one has a molecular weight of 393.85 g/mol, XLogP of 4.18, 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-chloro-4-fluorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one is sourced from PubChem (CID 25063641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).