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

C20H23N3OS — CID 10594242

IUPAC3-(1-benzylpiperidin-4-yl)-4-methyl-5-thiophen-2-yl-1H-imidazol-2-one
SMILESCc1c(-c2cccs2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23N3OS/c1-15-19(18-8-5-13-25-18)21-20(24)23(15)17-9-11-22(12-10-17)14-16-6-3-2-4-7-16/h2-8,13,17H,9-12,14H2,1H3,(H,21,24)
InChIKeyOEJDOSDQLNSUBL-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.05
Rot. Bonds4

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

3-(1-benzylpiperidin-4-yl)-4-methyl-5-thiophen-2-yl-1H-imidazol-2-one (PubChem CID 10594242) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-4-methyl-5-thiophen-2-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-4-methyl-5-thiophen-2-yl-1H-imidazol-2-one
PubChem CID10594242
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name3-(1-benzylpiperidin-4-yl)-4-methyl-5-thiophen-2-yl-1H-imidazol-2-one
SMILESCc1c(-c2cccs2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23N3OS/c1-15-19(18-8-5-13-25-18)21-20(24)23(15)17-9-11-22(12-10-17)14-16-6-3-2-4-7-16/h2-8,13,17H,9-12,14H2,1H3,(H,21,24)
InChIKeyOEJDOSDQLNSUBL-UHFFFAOYSA-N
XLogP4.05
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-4-yl)-4-methyl-5-thiophen-2-yl-1H-imidazol-2-one?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-4-methyl-5-thiophen-2-yl-1H-imidazol-2-one (CID 10594242) is 3-(1-benzylpiperidin-4-yl)-4-methyl-5-thiophen-2-yl-1H-imidazol-2-one.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-4-methyl-5-thiophen-2-yl-1H-imidazol-2-one?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-4-methyl-5-thiophen-2-yl-1H-imidazol-2-one is Cc1c(-c2cccs2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-4-methyl-5-thiophen-2-yl-1H-imidazol-2-one?
The InChIKey is OEJDOSDQLNSUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-15-19(18-8-5-13-25-18)21-20(24)23(15)17-9-11-22(12-10-17)14-16-6-3-2-4-7-16/h2-8,13,17H,9-12,14H2,1H3,(H,21,24).
What are the key properties of 3-(1-benzylpiperidin-4-yl)-4-methyl-5-thiophen-2-yl-1H-imidazol-2-one?
3-(1-benzylpiperidin-4-yl)-4-methyl-5-thiophen-2-yl-1H-imidazol-2-one has a molecular weight of 353.49 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-4-yl)-4-methyl-5-thiophen-2-yl-1H-imidazol-2-one is sourced from PubChem (CID 10594242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).