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

C23H26ClN3O — CID 21465541

IUPAC5-(4-chlorophenyl)-4-methyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one
SMILESCc1c(-c2ccc(Cl)cc2)[nH]c(=O)n1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H26ClN3O/c1-17-22(19-7-9-20(24)10-8-19)25-23(28)27(17)21-12-15-26(16-13-21)14-11-18-5-3-2-4-6-18/h2-10,21H,11-16H2,1H3,(H,25,28)
InChIKeyQPTNVNPNXVAXCE-UHFFFAOYSA-N
MW395.93 g/mol
LogP4.68
Rot. Bonds5

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

5-(4-chlorophenyl)-4-methyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one (PubChem CID 21465541) 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-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-methyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one
PubChem CID21465541
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name5-(4-chlorophenyl)-4-methyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one
SMILESCc1c(-c2ccc(Cl)cc2)[nH]c(=O)n1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H26ClN3O/c1-17-22(19-7-9-20(24)10-8-19)25-23(28)27(17)21-12-15-26(16-13-21)14-11-18-5-3-2-4-6-18/h2-10,21H,11-16H2,1H3,(H,25,28)
InChIKeyQPTNVNPNXVAXCE-UHFFFAOYSA-N
XLogP4.68
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 54.68
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-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one?
The IUPAC name of 5-(4-chlorophenyl)-4-methyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one (CID 21465541) is 5-(4-chlorophenyl)-4-methyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one.
What is the SMILES notation for 5-(4-chlorophenyl)-4-methyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one?
The canonical SMILES for 5-(4-chlorophenyl)-4-methyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one is Cc1c(-c2ccc(Cl)cc2)[nH]c(=O)n1C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 5-(4-chlorophenyl)-4-methyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one?
The InChIKey is QPTNVNPNXVAXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O/c1-17-22(19-7-9-20(24)10-8-19)25-23(28)27(17)21-12-15-26(16-13-21)14-11-18-5-3-2-4-6-18/h2-10,21H,11-16H2,1H3,(H,25,28).
What are the key properties of 5-(4-chlorophenyl)-4-methyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one?
5-(4-chlorophenyl)-4-methyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one has a molecular weight of 395.93 g/mol, XLogP of 4.68, 5 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-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one is sourced from PubChem (CID 21465541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).