4-benzyl-1-(4-chloro-2-methylphenyl)-2-[cyclohexyl(methyl)amino]-4H-imidazol-5-one

C24H28ClN3O — CID 46338728

IUPAC4-benzyl-1-(4-chloro-2-methylphenyl)-2-[cyclohexyl(methyl)amino]-4H-imidazol-5-one
SMILESCc1cc(Cl)ccc1N1C(=O)C(Cc2ccccc2)N=C1N(C)C1CCCCC1
InChIInChI=1S/C24H28ClN3O/c1-17-15-19(25)13-14-22(17)28-23(29)21(16-18-9-5-3-6-10-18)26-24(28)27(2)20-11-7-4-8-12-20/h3,5-6,9-10,13-15,20-21H,4,7-8,11-12,16H2,1-2H3
InChIKeyYSTDFZLWMUYENM-UHFFFAOYSA-N
MW409.96 g/mol
LogP5.23
Rot. Bonds4

About 4-benzyl-1-(4-chloro-2-methylphenyl)-2-[cyclohexyl(methyl)amino]-4H-imidazol-5-one

4-benzyl-1-(4-chloro-2-methylphenyl)-2-[cyclohexyl(methyl)amino]-4H-imidazol-5-one (PubChem CID 46338728) has the molecular formula C24H28ClN3O and a molecular weight of 409.96 g/mol. Its IUPAC name is 4-benzyl-1-(4-chloro-2-methylphenyl)-2-[cyclohexyl(methyl)amino]-4H-imidazol-5-one.

Molecular Properties

Compound Name4-benzyl-1-(4-chloro-2-methylphenyl)-2-[cyclohexyl(methyl)amino]-4H-imidazol-5-one
PubChem CID46338728
Molecular FormulaC24H28ClN3O
Molecular Weight409.96 g/mol
Exact Mass409.19
IUPAC Name4-benzyl-1-(4-chloro-2-methylphenyl)-2-[cyclohexyl(methyl)amino]-4H-imidazol-5-one
SMILESCc1cc(Cl)ccc1N1C(=O)C(Cc2ccccc2)N=C1N(C)C1CCCCC1
InChIInChI=1S/C24H28ClN3O/c1-17-15-19(25)13-14-22(17)28-23(29)21(16-18-9-5-3-6-10-18)26-24(28)27(2)20-11-7-4-8-12-20/h3,5-6,9-10,13-15,20-21H,4,7-8,11-12,16H2,1-2H3
InChIKeyYSTDFZLWMUYENM-UHFFFAOYSA-N
XLogP5.23
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.96
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(4-chloro-2-methylphenyl)-2-[cyclohexyl(methyl)amino]-4H-imidazol-5-one?
The IUPAC name of 4-benzyl-1-(4-chloro-2-methylphenyl)-2-[cyclohexyl(methyl)amino]-4H-imidazol-5-one (CID 46338728) is 4-benzyl-1-(4-chloro-2-methylphenyl)-2-[cyclohexyl(methyl)amino]-4H-imidazol-5-one.
What is the SMILES notation for 4-benzyl-1-(4-chloro-2-methylphenyl)-2-[cyclohexyl(methyl)amino]-4H-imidazol-5-one?
The canonical SMILES for 4-benzyl-1-(4-chloro-2-methylphenyl)-2-[cyclohexyl(methyl)amino]-4H-imidazol-5-one is Cc1cc(Cl)ccc1N1C(=O)C(Cc2ccccc2)N=C1N(C)C1CCCCC1.
What is the InChIKey of 4-benzyl-1-(4-chloro-2-methylphenyl)-2-[cyclohexyl(methyl)amino]-4H-imidazol-5-one?
The InChIKey is YSTDFZLWMUYENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O/c1-17-15-19(25)13-14-22(17)28-23(29)21(16-18-9-5-3-6-10-18)26-24(28)27(2)20-11-7-4-8-12-20/h3,5-6,9-10,13-15,20-21H,4,7-8,11-12,16H2,1-2H3.
What are the key properties of 4-benzyl-1-(4-chloro-2-methylphenyl)-2-[cyclohexyl(methyl)amino]-4H-imidazol-5-one?
4-benzyl-1-(4-chloro-2-methylphenyl)-2-[cyclohexyl(methyl)amino]-4H-imidazol-5-one has a molecular weight of 409.96 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(4-chloro-2-methylphenyl)-2-[cyclohexyl(methyl)amino]-4H-imidazol-5-one is sourced from PubChem (CID 46338728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).