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

C14H16ClN3O — CID 11277418

IUPAC3-(4-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one
SMILESO=C1N=C(N2CCCCC2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O/c15-11-4-6-12(7-5-11)18-10-13(16-14(18)19)17-8-2-1-3-9-17/h4-7H,1-3,8-10H2
InChIKeyYGXIELIREXEJQN-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.16
Rot. Bonds1

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

3-(4-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one (PubChem CID 11277418) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one
PubChem CID11277418
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name3-(4-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one
SMILESO=C1N=C(N2CCCCC2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O/c15-11-4-6-12(7-5-11)18-10-13(16-14(18)19)17-8-2-1-3-9-17/h4-7H,1-3,8-10H2
InChIKeyYGXIELIREXEJQN-UHFFFAOYSA-N
XLogP3.16
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one?
The IUPAC name of 3-(4-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one (CID 11277418) is 3-(4-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one is O=C1N=C(N2CCCCC2)CN1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one?
The InChIKey is YGXIELIREXEJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-11-4-6-12(7-5-11)18-10-13(16-14(18)19)17-8-2-1-3-9-17/h4-7H,1-3,8-10H2.
What are the key properties of 3-(4-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one?
3-(4-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one has a molecular weight of 277.75 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one is sourced from PubChem (CID 11277418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).