5-(benzylamino)-4-(4-chlorophenyl)-3-(4-ethylphenyl)-1H-imidazol-2-one

C24H22ClN3O — CID 90741326

IUPAC5-(benzylamino)-4-(4-chlorophenyl)-3-(4-ethylphenyl)-1H-imidazol-2-one
SMILESCCc1ccc(-n2c(-c3ccc(Cl)cc3)c(NCc3ccccc3)[nH]c2=O)cc1
InChIInChI=1S/C24H22ClN3O/c1-2-17-8-14-21(15-9-17)28-22(19-10-12-20(25)13-11-19)23(27-24(28)29)26-16-18-6-4-3-5-7-18/h3-15,26H,2,16H2,1H3,(H,27,29)
InChIKeyJJNDWJRNOFRURA-UHFFFAOYSA-N
MW403.91 g/mol
LogP5.66
Rot. Bonds6

About 5-(benzylamino)-4-(4-chlorophenyl)-3-(4-ethylphenyl)-1H-imidazol-2-one

5-(benzylamino)-4-(4-chlorophenyl)-3-(4-ethylphenyl)-1H-imidazol-2-one (PubChem CID 90741326) has the molecular formula C24H22ClN3O and a molecular weight of 403.91 g/mol. Its IUPAC name is 5-(benzylamino)-4-(4-chlorophenyl)-3-(4-ethylphenyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(benzylamino)-4-(4-chlorophenyl)-3-(4-ethylphenyl)-1H-imidazol-2-one
PubChem CID90741326
Molecular FormulaC24H22ClN3O
Molecular Weight403.91 g/mol
Exact Mass403.15
IUPAC Name5-(benzylamino)-4-(4-chlorophenyl)-3-(4-ethylphenyl)-1H-imidazol-2-one
SMILESCCc1ccc(-n2c(-c3ccc(Cl)cc3)c(NCc3ccccc3)[nH]c2=O)cc1
InChIInChI=1S/C24H22ClN3O/c1-2-17-8-14-21(15-9-17)28-22(19-10-12-20(25)13-11-19)23(27-24(28)29)26-16-18-6-4-3-5-7-18/h3-15,26H,2,16H2,1H3,(H,27,29)
InChIKeyJJNDWJRNOFRURA-UHFFFAOYSA-N
XLogP5.66
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-4-(4-chlorophenyl)-3-(4-ethylphenyl)-1H-imidazol-2-one?
The IUPAC name of 5-(benzylamino)-4-(4-chlorophenyl)-3-(4-ethylphenyl)-1H-imidazol-2-one (CID 90741326) is 5-(benzylamino)-4-(4-chlorophenyl)-3-(4-ethylphenyl)-1H-imidazol-2-one.
What is the SMILES notation for 5-(benzylamino)-4-(4-chlorophenyl)-3-(4-ethylphenyl)-1H-imidazol-2-one?
The canonical SMILES for 5-(benzylamino)-4-(4-chlorophenyl)-3-(4-ethylphenyl)-1H-imidazol-2-one is CCc1ccc(-n2c(-c3ccc(Cl)cc3)c(NCc3ccccc3)[nH]c2=O)cc1.
What is the InChIKey of 5-(benzylamino)-4-(4-chlorophenyl)-3-(4-ethylphenyl)-1H-imidazol-2-one?
The InChIKey is JJNDWJRNOFRURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O/c1-2-17-8-14-21(15-9-17)28-22(19-10-12-20(25)13-11-19)23(27-24(28)29)26-16-18-6-4-3-5-7-18/h3-15,26H,2,16H2,1H3,(H,27,29).
What are the key properties of 5-(benzylamino)-4-(4-chlorophenyl)-3-(4-ethylphenyl)-1H-imidazol-2-one?
5-(benzylamino)-4-(4-chlorophenyl)-3-(4-ethylphenyl)-1H-imidazol-2-one has a molecular weight of 403.91 g/mol, XLogP of 5.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-4-(4-chlorophenyl)-3-(4-ethylphenyl)-1H-imidazol-2-one is sourced from PubChem (CID 90741326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).