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

C23H27N3O — CID 10522614

IUPAC3-(1-benzylpiperidin-4-yl)-4-ethyl-5-phenyl-1H-imidazol-2-one
SMILESCCc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H27N3O/c1-2-21-22(19-11-7-4-8-12-19)24-23(27)26(21)20-13-15-25(16-14-20)17-18-9-5-3-6-10-18/h3-12,20H,2,13-17H2,1H3,(H,24,27)
InChIKeyWTYNOFOXDOHJBE-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.24
Rot. Bonds5

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

3-(1-benzylpiperidin-4-yl)-4-ethyl-5-phenyl-1H-imidazol-2-one (PubChem CID 10522614) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-4-ethyl-5-phenyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-4-ethyl-5-phenyl-1H-imidazol-2-one
PubChem CID10522614
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name3-(1-benzylpiperidin-4-yl)-4-ethyl-5-phenyl-1H-imidazol-2-one
SMILESCCc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H27N3O/c1-2-21-22(19-11-7-4-8-12-19)24-23(27)26(21)20-13-15-25(16-14-20)17-18-9-5-3-6-10-18/h3-12,20H,2,13-17H2,1H3,(H,24,27)
InChIKeyWTYNOFOXDOHJBE-UHFFFAOYSA-N
XLogP4.24
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Urea, N,N'-bis(phenylmethyl)-
CID 72889
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
1,3-Dihydro-4,5-diphenyl-2H-imidazol-2-one
CID 231587
4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide
CID 1358608
N-benzyl-4-cyclopentylpiperazine-1-carboxamide
CID 40012125
N,4-dibenzhydrylpiperazine-1-carboxamide
CID 10115592
(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)-4-ethyl-5-phenyl-1H-imidazol-2-one?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-4-ethyl-5-phenyl-1H-imidazol-2-one (CID 10522614) is 3-(1-benzylpiperidin-4-yl)-4-ethyl-5-phenyl-1H-imidazol-2-one.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-4-ethyl-5-phenyl-1H-imidazol-2-one?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-4-ethyl-5-phenyl-1H-imidazol-2-one is CCc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-4-ethyl-5-phenyl-1H-imidazol-2-one?
The InChIKey is WTYNOFOXDOHJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-2-21-22(19-11-7-4-8-12-19)24-23(27)26(21)20-13-15-25(16-14-20)17-18-9-5-3-6-10-18/h3-12,20H,2,13-17H2,1H3,(H,24,27).
What are the key properties of 3-(1-benzylpiperidin-4-yl)-4-ethyl-5-phenyl-1H-imidazol-2-one?
3-(1-benzylpiperidin-4-yl)-4-ethyl-5-phenyl-1H-imidazol-2-one has a molecular weight of 361.49 g/mol, XLogP of 4.24, 5 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)-4-ethyl-5-phenyl-1H-imidazol-2-one is sourced from PubChem (CID 10522614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).