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

C22H24ClN3O — CID 10643588

IUPAC3-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-4-methyl-1H-imidazol-2-one
SMILESCc1c(-c2ccc(Cl)cc2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24ClN3O/c1-16-21(18-7-9-19(23)10-8-18)24-22(27)26(16)20-11-13-25(14-12-20)15-17-5-3-2-4-6-17/h2-10,20H,11-15H2,1H3,(H,24,27)
InChIKeyZCDDPEAAEDRNJF-UHFFFAOYSA-N
MW381.91 g/mol
LogP4.64
Rot. Bonds4

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

3-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-4-methyl-1H-imidazol-2-one (PubChem CID 10643588) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-4-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-4-methyl-1H-imidazol-2-one
PubChem CID10643588
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC Name3-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-4-methyl-1H-imidazol-2-one
SMILESCc1c(-c2ccc(Cl)cc2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24ClN3O/c1-16-21(18-7-9-19(23)10-8-18)24-22(27)26(16)20-11-13-25(14-12-20)15-17-5-3-2-4-6-17/h2-10,20H,11-15H2,1H3,(H,24,27)
InChIKeyZCDDPEAAEDRNJF-UHFFFAOYSA-N
XLogP4.64
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 54.64
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)-5-(4-chlorophenyl)-4-methyl-1H-imidazol-2-one?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-4-methyl-1H-imidazol-2-one (CID 10643588) is 3-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-4-methyl-1H-imidazol-2-one.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-4-methyl-1H-imidazol-2-one?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-4-methyl-1H-imidazol-2-one is Cc1c(-c2ccc(Cl)cc2)[nH]c(=O)n1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-4-methyl-1H-imidazol-2-one?
The InChIKey is ZCDDPEAAEDRNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O/c1-16-21(18-7-9-19(23)10-8-18)24-22(27)26(16)20-11-13-25(14-12-20)15-17-5-3-2-4-6-17/h2-10,20H,11-15H2,1H3,(H,24,27).
What are the key properties of 3-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-4-methyl-1H-imidazol-2-one?
3-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-4-methyl-1H-imidazol-2-one has a molecular weight of 381.91 g/mol, XLogP of 4.64, 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)-5-(4-chlorophenyl)-4-methyl-1H-imidazol-2-one is sourced from PubChem (CID 10643588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).