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

C23H27N3O — CID 10666315

IUPAC3-(1-benzylpiperidin-4-yl)-4-methyl-5-(4-methylphenyl)-1H-imidazol-2-one
SMILESCc1ccc(-c2[nH]c(=O)n(C3CCN(Cc4ccccc4)CC3)c2C)cc1
InChIInChI=1S/C23H27N3O/c1-17-8-10-20(11-9-17)22-18(2)26(23(27)24-22)21-12-14-25(15-13-21)16-19-6-4-3-5-7-19/h3-11,21H,12-16H2,1-2H3,(H,24,27)
InChIKeyVYIBPAZWROJPIT-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.30
Rot. Bonds4

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

3-(1-benzylpiperidin-4-yl)-4-methyl-5-(4-methylphenyl)-1H-imidazol-2-one (PubChem CID 10666315) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-4-methyl-5-(4-methylphenyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-4-methyl-5-(4-methylphenyl)-1H-imidazol-2-one
PubChem CID10666315
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name3-(1-benzylpiperidin-4-yl)-4-methyl-5-(4-methylphenyl)-1H-imidazol-2-one
SMILESCc1ccc(-c2[nH]c(=O)n(C3CCN(Cc4ccccc4)CC3)c2C)cc1
InChIInChI=1S/C23H27N3O/c1-17-8-10-20(11-9-17)22-18(2)26(23(27)24-22)21-12-14-25(15-13-21)16-19-6-4-3-5-7-19/h3-11,21H,12-16H2,1-2H3,(H,24,27)
InChIKeyVYIBPAZWROJPIT-UHFFFAOYSA-N
XLogP4.30
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-4-yl)-4-methyl-5-(4-methylphenyl)-1H-imidazol-2-one?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-4-methyl-5-(4-methylphenyl)-1H-imidazol-2-one (CID 10666315) is 3-(1-benzylpiperidin-4-yl)-4-methyl-5-(4-methylphenyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-4-methyl-5-(4-methylphenyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-4-methyl-5-(4-methylphenyl)-1H-imidazol-2-one is Cc1ccc(-c2[nH]c(=O)n(C3CCN(Cc4ccccc4)CC3)c2C)cc1.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-4-methyl-5-(4-methylphenyl)-1H-imidazol-2-one?
The InChIKey is VYIBPAZWROJPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-17-8-10-20(11-9-17)22-18(2)26(23(27)24-22)21-12-14-25(15-13-21)16-19-6-4-3-5-7-19/h3-11,21H,12-16H2,1-2H3,(H,24,27).
What are the key properties of 3-(1-benzylpiperidin-4-yl)-4-methyl-5-(4-methylphenyl)-1H-imidazol-2-one?
3-(1-benzylpiperidin-4-yl)-4-methyl-5-(4-methylphenyl)-1H-imidazol-2-one has a molecular weight of 361.49 g/mol, XLogP of 4.30, 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)-4-methyl-5-(4-methylphenyl)-1H-imidazol-2-one is sourced from PubChem (CID 10666315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).