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

C22H24ClN3O — CID 59387534

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclohexyl-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CCCCC2)N=C1N
InChIInChI=1S/C22H24ClN3O/c1-26-20(27)22(25-21(26)24,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-19(23)14-16/h5-8,11-14,17H,2-4,9-10H2,1H3,(H2,24,25)
InChIKeyKQNHFKXHVNOELI-UHFFFAOYSA-N
MW381.91 g/mol
LogP4.57
Rot. Bonds3

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

2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclohexyl-3-methylimidazol-4-one (PubChem CID 59387534) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclohexyl-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclohexyl-3-methylimidazol-4-one
PubChem CID59387534
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclohexyl-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CCCCC2)N=C1N
InChIInChI=1S/C22H24ClN3O/c1-26-20(27)22(25-21(26)24,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-19(23)14-16/h5-8,11-14,17H,2-4,9-10H2,1H3,(H2,24,25)
InChIKeyKQNHFKXHVNOELI-UHFFFAOYSA-N
XLogP4.57
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 54.57
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-cyclohexyl-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclohexyl-3-methylimidazol-4-one (CID 59387534) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclohexyl-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclohexyl-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclohexyl-3-methylimidazol-4-one is CN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CCCCC2)N=C1N.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclohexyl-3-methylimidazol-4-one?
The InChIKey is KQNHFKXHVNOELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O/c1-26-20(27)22(25-21(26)24,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-19(23)14-16/h5-8,11-14,17H,2-4,9-10H2,1H3,(H2,24,25).
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclohexyl-3-methylimidazol-4-one?
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclohexyl-3-methylimidazol-4-one has a molecular weight of 381.91 g/mol, XLogP of 4.57, 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-cyclohexyl-3-methylimidazol-4-one is sourced from PubChem (CID 59387534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).