4-benzyl-1-cyclohexyl-2-(4-methylpiperidin-1-yl)-4H-imidazol-5-one

C22H31N3O — CID 45106816

IUPAC4-benzyl-1-cyclohexyl-2-(4-methylpiperidin-1-yl)-4H-imidazol-5-one
SMILESCC1CCN(C2=NC(Cc3ccccc3)C(=O)N2C2CCCCC2)CC1
InChIInChI=1S/C22H31N3O/c1-17-12-14-24(15-13-17)22-23-20(16-18-8-4-2-5-9-18)21(26)25(22)19-10-6-3-7-11-19/h2,4-5,8-9,17,19-20H,3,6-7,10-16H2,1H3
InChIKeyRASDGPXKZLDUPI-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.86
Rot. Bonds3

About 4-benzyl-1-cyclohexyl-2-(4-methylpiperidin-1-yl)-4H-imidazol-5-one

4-benzyl-1-cyclohexyl-2-(4-methylpiperidin-1-yl)-4H-imidazol-5-one (PubChem CID 45106816) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 4-benzyl-1-cyclohexyl-2-(4-methylpiperidin-1-yl)-4H-imidazol-5-one.

Molecular Properties

Compound Name4-benzyl-1-cyclohexyl-2-(4-methylpiperidin-1-yl)-4H-imidazol-5-one
PubChem CID45106816
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name4-benzyl-1-cyclohexyl-2-(4-methylpiperidin-1-yl)-4H-imidazol-5-one
SMILESCC1CCN(C2=NC(Cc3ccccc3)C(=O)N2C2CCCCC2)CC1
InChIInChI=1S/C22H31N3O/c1-17-12-14-24(15-13-17)22-23-20(16-18-8-4-2-5-9-18)21(26)25(22)19-10-6-3-7-11-19/h2,4-5,8-9,17,19-20H,3,6-7,10-16H2,1H3
InChIKeyRASDGPXKZLDUPI-UHFFFAOYSA-N
XLogP3.86
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Cyclohexylpiperazin-1-yl)-4-phenylbutan-1-one
CID 2970858
2-amino-4-cyclohexyl-1-methyl-4-phenyl-1H-imidazol-5(4H)-one
CID 16050931
2-amino-1-benzyl-4-cyclohexyl-4-phenyl-1H-imidazol-5(4H)-one
CID 16051038
2-amino-4-cyclohexyl-1-hexyl-4-phenyl-1H-imidazol-5(4H)-one
CID 16051040
2-Amino-3-cyclohexyl-5,5-diphenylimidazol-4-one
CID 44530523
2-Amino-3-pentyl-5,5-diphenylimidazol-4-one
CID 44530658
2-Amino-5,5-diphenyl-3-(2-phenylbutyl)imidazol-4-one
CID 44530662
2-Amino-5-(2-cyclohexylethyl)-3-methyl-5-phenylimidazol-4-one
CID 57843806
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-phenylacetamide
CID 59262349
2-Amino-3-cyclohexyl-5,5-bis(3-methylphenyl)imidazol-4-one
CID 76317509
2-Amino-3-cyclohexyl-5,5-bis(4-methylphenyl)imidazol-4-one
CID 76324856
2-Amino-5-ethyl-5-phenyl-3-(3-phenylpropyl)imidazol-4-one
CID 44530243

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-cyclohexyl-2-(4-methylpiperidin-1-yl)-4H-imidazol-5-one?
The IUPAC name of 4-benzyl-1-cyclohexyl-2-(4-methylpiperidin-1-yl)-4H-imidazol-5-one (CID 45106816) is 4-benzyl-1-cyclohexyl-2-(4-methylpiperidin-1-yl)-4H-imidazol-5-one.
What is the SMILES notation for 4-benzyl-1-cyclohexyl-2-(4-methylpiperidin-1-yl)-4H-imidazol-5-one?
The canonical SMILES for 4-benzyl-1-cyclohexyl-2-(4-methylpiperidin-1-yl)-4H-imidazol-5-one is CC1CCN(C2=NC(Cc3ccccc3)C(=O)N2C2CCCCC2)CC1.
What is the InChIKey of 4-benzyl-1-cyclohexyl-2-(4-methylpiperidin-1-yl)-4H-imidazol-5-one?
The InChIKey is RASDGPXKZLDUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-17-12-14-24(15-13-17)22-23-20(16-18-8-4-2-5-9-18)21(26)25(22)19-10-6-3-7-11-19/h2,4-5,8-9,17,19-20H,3,6-7,10-16H2,1H3.
What are the key properties of 4-benzyl-1-cyclohexyl-2-(4-methylpiperidin-1-yl)-4H-imidazol-5-one?
4-benzyl-1-cyclohexyl-2-(4-methylpiperidin-1-yl)-4H-imidazol-5-one has a molecular weight of 353.51 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-cyclohexyl-2-(4-methylpiperidin-1-yl)-4H-imidazol-5-one is sourced from PubChem (CID 45106816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).