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

C23H27N3O2 — CID 10619612

IUPAC3-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-4-methyl-1H-imidazol-2-one
SMILESCOc1ccc(-c2[nH]c(=O)n(C3CCN(Cc4ccccc4)CC3)c2C)cc1
InChIInChI=1S/C23H27N3O2/c1-17-22(19-8-10-21(28-2)11-9-19)24-23(27)26(17)20-12-14-25(15-13-20)16-18-6-4-3-5-7-18/h3-11,20H,12-16H2,1-2H3,(H,24,27)
InChIKeyJSOOBIHCFROWDG-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.00
Rot. Bonds5

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

3-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-4-methyl-1H-imidazol-2-one (PubChem CID 10619612) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-4-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-4-methyl-1H-imidazol-2-one
PubChem CID10619612
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-4-methyl-1H-imidazol-2-one
SMILESCOc1ccc(-c2[nH]c(=O)n(C3CCN(Cc4ccccc4)CC3)c2C)cc1
InChIInChI=1S/C23H27N3O2/c1-17-22(19-8-10-21(28-2)11-9-19)24-23(27)26(17)20-12-14-25(15-13-20)16-18-6-4-3-5-7-18/h3-11,20H,12-16H2,1-2H3,(H,24,27)
InChIKeyJSOOBIHCFROWDG-UHFFFAOYSA-N
XLogP4.00
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.00
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)-5-(4-methoxyphenyl)-4-methyl-1H-imidazol-2-one?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-4-methyl-1H-imidazol-2-one (CID 10619612) is 3-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-4-methyl-1H-imidazol-2-one.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-4-methyl-1H-imidazol-2-one?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-4-methyl-1H-imidazol-2-one is COc1ccc(-c2[nH]c(=O)n(C3CCN(Cc4ccccc4)CC3)c2C)cc1.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-4-methyl-1H-imidazol-2-one?
The InChIKey is JSOOBIHCFROWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17-22(19-8-10-21(28-2)11-9-19)24-23(27)26(17)20-12-14-25(15-13-20)16-18-6-4-3-5-7-18/h3-11,20H,12-16H2,1-2H3,(H,24,27).
What are the key properties of 3-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-4-methyl-1H-imidazol-2-one?
3-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-4-methyl-1H-imidazol-2-one has a molecular weight of 377.49 g/mol, XLogP of 4.00, 5 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)-5-(4-methoxyphenyl)-4-methyl-1H-imidazol-2-one is sourced from PubChem (CID 10619612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).