1-(1-benzylpiperidin-4-yl)-3,5-dimethyl-4-phenylimidazol-2-one

C23H27N3O — CID 10594764

IUPAC1-(1-benzylpiperidin-4-yl)-3,5-dimethyl-4-phenylimidazol-2-one
SMILESCc1c(-c2ccccc2)n(C)c(=O)n1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H27N3O/c1-18-22(20-11-7-4-8-12-20)24(2)23(27)26(18)21-13-15-25(16-14-21)17-19-9-5-3-6-10-19/h3-12,21H,13-17H2,1-2H3
InChIKeyBXEHOLVBINGZIE-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.00
Rot. Bonds4

About 1-(1-benzylpiperidin-4-yl)-3,5-dimethyl-4-phenylimidazol-2-one

1-(1-benzylpiperidin-4-yl)-3,5-dimethyl-4-phenylimidazol-2-one (PubChem CID 10594764) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3,5-dimethyl-4-phenylimidazol-2-one.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3,5-dimethyl-4-phenylimidazol-2-one
PubChem CID10594764
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name1-(1-benzylpiperidin-4-yl)-3,5-dimethyl-4-phenylimidazol-2-one
SMILESCc1c(-c2ccccc2)n(C)c(=O)n1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H27N3O/c1-18-22(20-11-7-4-8-12-20)24(2)23(27)26(18)21-13-15-25(16-14-21)17-19-9-5-3-6-10-19/h3-12,21H,13-17H2,1-2H3
InChIKeyBXEHOLVBINGZIE-UHFFFAOYSA-N
XLogP4.00
TPSA30.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3,5-dimethyl-4-phenylimidazol-2-one?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3,5-dimethyl-4-phenylimidazol-2-one (CID 10594764) is 1-(1-benzylpiperidin-4-yl)-3,5-dimethyl-4-phenylimidazol-2-one.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3,5-dimethyl-4-phenylimidazol-2-one?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3,5-dimethyl-4-phenylimidazol-2-one is Cc1c(-c2ccccc2)n(C)c(=O)n1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3,5-dimethyl-4-phenylimidazol-2-one?
The InChIKey is BXEHOLVBINGZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-18-22(20-11-7-4-8-12-20)24(2)23(27)26(18)21-13-15-25(16-14-21)17-19-9-5-3-6-10-19/h3-12,21H,13-17H2,1-2H3.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3,5-dimethyl-4-phenylimidazol-2-one?
1-(1-benzylpiperidin-4-yl)-3,5-dimethyl-4-phenylimidazol-2-one has a molecular weight of 361.49 g/mol, XLogP of 4.00, 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)-3,5-dimethyl-4-phenylimidazol-2-one is sourced from PubChem (CID 10594764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).