3-(1-benzylpiperidin-4-yl)-5-methyl-4-phenyl-1H-imidazol-2-one

C22H25N3O — CID 10569690

IUPAC3-(1-benzylpiperidin-4-yl)-5-methyl-4-phenyl-1H-imidazol-2-one
SMILESCc1[nH]c(=O)n(C2CCN(Cc3ccccc3)CC2)c1-c1ccccc1
InChIInChI=1S/C22H25N3O/c1-17-21(19-10-6-3-7-11-19)25(22(26)23-17)20-12-14-24(15-13-20)16-18-8-4-2-5-9-18/h2-11,20H,12-16H2,1H3,(H,23,26)
InChIKeyONVAFCPNRHAADQ-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.99
Rot. Bonds4

About 3-(1-benzylpiperidin-4-yl)-5-methyl-4-phenyl-1H-imidazol-2-one

3-(1-benzylpiperidin-4-yl)-5-methyl-4-phenyl-1H-imidazol-2-one (PubChem CID 10569690) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-5-methyl-4-phenyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-5-methyl-4-phenyl-1H-imidazol-2-one
PubChem CID10569690
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name3-(1-benzylpiperidin-4-yl)-5-methyl-4-phenyl-1H-imidazol-2-one
SMILESCc1[nH]c(=O)n(C2CCN(Cc3ccccc3)CC2)c1-c1ccccc1
InChIInChI=1S/C22H25N3O/c1-17-21(19-10-6-3-7-11-19)25(22(26)23-17)20-12-14-24(15-13-20)16-18-8-4-2-5-9-18/h2-11,20H,12-16H2,1H3,(H,23,26)
InChIKeyONVAFCPNRHAADQ-UHFFFAOYSA-N
XLogP3.99
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Urea, N,N'-bis(phenylmethyl)-
CID 72889
Urea, N,N''-1,6-hexanediylbis[N'-(phenylmethyl)-
CID 2818389
N-benzylpiperazine-1-carboxamide hydrochloride
CID 17400262
1-Benzyl-3-cyclohexylurea
CID 544877
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
3-(1-Benzylpiperidin-4-yl)-1-phenylurea
CID 4064342
4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide
CID 1358608
N-benzyl-4-cyclopentylpiperazine-1-carboxamide
CID 40012125
(2S)-N-(3-aminopropyl)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 24901492
1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 9950165

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-4-yl)-5-methyl-4-phenyl-1H-imidazol-2-one?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-5-methyl-4-phenyl-1H-imidazol-2-one (CID 10569690) is 3-(1-benzylpiperidin-4-yl)-5-methyl-4-phenyl-1H-imidazol-2-one.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-5-methyl-4-phenyl-1H-imidazol-2-one?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-5-methyl-4-phenyl-1H-imidazol-2-one is Cc1[nH]c(=O)n(C2CCN(Cc3ccccc3)CC2)c1-c1ccccc1.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-5-methyl-4-phenyl-1H-imidazol-2-one?
The InChIKey is ONVAFCPNRHAADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-17-21(19-10-6-3-7-11-19)25(22(26)23-17)20-12-14-24(15-13-20)16-18-8-4-2-5-9-18/h2-11,20H,12-16H2,1H3,(H,23,26).
What are the key properties of 3-(1-benzylpiperidin-4-yl)-5-methyl-4-phenyl-1H-imidazol-2-one?
3-(1-benzylpiperidin-4-yl)-5-methyl-4-phenyl-1H-imidazol-2-one has a molecular weight of 347.46 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-4-yl)-5-methyl-4-phenyl-1H-imidazol-2-one is sourced from PubChem (CID 10569690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).