1-(1-benzylpiperidin-4-yl)-3-methyl-4-phenylimidazol-2-one

C22H25N3O — CID 10783874

IUPAC1-(1-benzylpiperidin-4-yl)-3-methyl-4-phenylimidazol-2-one
SMILESCn1c(-c2ccccc2)cn(C2CCN(Cc3ccccc3)CC2)c1=O
InChIInChI=1S/C22H25N3O/c1-23-21(19-10-6-3-7-11-19)17-25(22(23)26)20-12-14-24(15-13-20)16-18-8-4-2-5-9-18/h2-11,17,20H,12-16H2,1H3
InChIKeyMXJQVJALKSFQKU-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.69
Rot. Bonds4

About 1-(1-benzylpiperidin-4-yl)-3-methyl-4-phenylimidazol-2-one

1-(1-benzylpiperidin-4-yl)-3-methyl-4-phenylimidazol-2-one (PubChem CID 10783874) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-methyl-4-phenylimidazol-2-one.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-methyl-4-phenylimidazol-2-one
PubChem CID10783874
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-methyl-4-phenylimidazol-2-one
SMILESCn1c(-c2ccccc2)cn(C2CCN(Cc3ccccc3)CC2)c1=O
InChIInChI=1S/C22H25N3O/c1-23-21(19-10-6-3-7-11-19)17-25(22(23)26)20-12-14-24(15-13-20)16-18-8-4-2-5-9-18/h2-11,17,20H,12-16H2,1H3
InChIKeyMXJQVJALKSFQKU-UHFFFAOYSA-N
XLogP3.69
TPSA30.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
(2S)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11840968
1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 9950165
3-[4-(5-Methyl-2-oxo-4-phenyl-2,3-dihydro-imidazol-1-yl)-piperidin-1-ylmethyl]-benzonitrile
CID 10248715
5-Methyl-1-(1-phenethyl-piperidin-4-yl)-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10522613
1-(1-Benzyl-piperidin-4-yl)-3,5-dimethyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10594764
1-(1-Benzyl-piperidin-4-yl)-4-(4-chloro-phenyl)-5-methyl-1,3-dihydro-imidazol-2-one
CID 10643588
1-[1-(3-Chloro-benzyl)-piperidin-4-yl]-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10667579
(2S)-4-(2,5-difluorophenyl)-N-(1-acetylpiperidin-4-yl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 24901491
1-(1-Benzyl-piperidin-4-yl)-5-ethyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10522614
5-Methyl-1-[1-(3-methyl-benzyl)-piperidin-4-yl]-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10546540

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-methyl-4-phenylimidazol-2-one?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-methyl-4-phenylimidazol-2-one (CID 10783874) is 1-(1-benzylpiperidin-4-yl)-3-methyl-4-phenylimidazol-2-one.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-methyl-4-phenylimidazol-2-one?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-methyl-4-phenylimidazol-2-one is Cn1c(-c2ccccc2)cn(C2CCN(Cc3ccccc3)CC2)c1=O.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-methyl-4-phenylimidazol-2-one?
The InChIKey is MXJQVJALKSFQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-23-21(19-10-6-3-7-11-19)17-25(22(23)26)20-12-14-24(15-13-20)16-18-8-4-2-5-9-18/h2-11,17,20H,12-16H2,1H3.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-methyl-4-phenylimidazol-2-one?
1-(1-benzylpiperidin-4-yl)-3-methyl-4-phenylimidazol-2-one has a molecular weight of 347.46 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-methyl-4-phenylimidazol-2-one is sourced from PubChem (CID 10783874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).