5-(4-chlorophenyl)-4-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one

C23H26ClN3O — CID 21465531

IUPAC5-(4-chlorophenyl)-4-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one
SMILESCc1ccccc1CN1CCC(n2c(C)c(-c3ccc(Cl)cc3)[nH]c2=O)CC1
InChIInChI=1S/C23H26ClN3O/c1-16-5-3-4-6-19(16)15-26-13-11-21(12-14-26)27-17(2)22(25-23(27)28)18-7-9-20(24)10-8-18/h3-10,21H,11-15H2,1-2H3,(H,25,28)
InChIKeyLKOGOOCFYWEZNZ-UHFFFAOYSA-N
MW395.93 g/mol
LogP4.95
Rot. Bonds4

About 5-(4-chlorophenyl)-4-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one

5-(4-chlorophenyl)-4-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one (PubChem CID 21465531) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one
PubChem CID21465531
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name5-(4-chlorophenyl)-4-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one
SMILESCc1ccccc1CN1CCC(n2c(C)c(-c3ccc(Cl)cc3)[nH]c2=O)CC1
InChIInChI=1S/C23H26ClN3O/c1-16-5-3-4-6-19(16)15-26-13-11-21(12-14-26)27-17(2)22(25-23(27)28)18-7-9-20(24)10-8-18/h3-10,21H,11-15H2,1-2H3,(H,25,28)
InChIKeyLKOGOOCFYWEZNZ-UHFFFAOYSA-N
XLogP4.95
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one?
The IUPAC name of 5-(4-chlorophenyl)-4-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one (CID 21465531) is 5-(4-chlorophenyl)-4-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one.
What is the SMILES notation for 5-(4-chlorophenyl)-4-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one?
The canonical SMILES for 5-(4-chlorophenyl)-4-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one is Cc1ccccc1CN1CCC(n2c(C)c(-c3ccc(Cl)cc3)[nH]c2=O)CC1.
What is the InChIKey of 5-(4-chlorophenyl)-4-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one?
The InChIKey is LKOGOOCFYWEZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O/c1-16-5-3-4-6-19(16)15-26-13-11-21(12-14-26)27-17(2)22(25-23(27)28)18-7-9-20(24)10-8-18/h3-10,21H,11-15H2,1-2H3,(H,25,28).
What are the key properties of 5-(4-chlorophenyl)-4-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one?
5-(4-chlorophenyl)-4-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one has a molecular weight of 395.93 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-methyl-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one is sourced from PubChem (CID 21465531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).