1-(3-chlorophenyl)-3-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]imidazolidin-2-one

C24H26ClN5O2 — CID 45268346

IUPAC1-(3-chlorophenyl)-3-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1N(CCN2CCC(c3nnc(-c4ccccc4)o3)CC2)CCN1c1cccc(Cl)c1
InChIInChI=1S/C24H26ClN5O2/c25-20-7-4-8-21(17-20)30-16-15-29(24(30)31)14-13-28-11-9-19(10-12-28)23-27-26-22(32-23)18-5-2-1-3-6-18/h1-8,17,19H,9-16H2
InChIKeyINZVCQWDAXDGMY-UHFFFAOYSA-N
MW451.96 g/mol
LogP4.51
Rot. Bonds6

About 1-(3-chlorophenyl)-3-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]imidazolidin-2-one

1-(3-chlorophenyl)-3-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 45268346) has the molecular formula C24H26ClN5O2 and a molecular weight of 451.96 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID45268346
Molecular FormulaC24H26ClN5O2
Molecular Weight451.96 g/mol
Exact Mass451.18
IUPAC Name1-(3-chlorophenyl)-3-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1N(CCN2CCC(c3nnc(-c4ccccc4)o3)CC2)CCN1c1cccc(Cl)c1
InChIInChI=1S/C24H26ClN5O2/c25-20-7-4-8-21(17-20)30-16-15-29(24(30)31)14-13-28-11-9-19(10-12-28)23-27-26-22(32-23)18-5-2-1-3-6-18/h1-8,17,19H,9-16H2
InChIKeyINZVCQWDAXDGMY-UHFFFAOYSA-N
XLogP4.51
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]imidazolidin-2-one (CID 45268346) is 1-(3-chlorophenyl)-3-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]imidazolidin-2-one is O=C1N(CCN2CCC(c3nnc(-c4ccccc4)o3)CC2)CCN1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is INZVCQWDAXDGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2/c25-20-7-4-8-21(17-20)30-16-15-29(24(30)31)14-13-28-11-9-19(10-12-28)23-27-26-22(32-23)18-5-2-1-3-6-18/h1-8,17,19H,9-16H2.
What are the key properties of 1-(3-chlorophenyl)-3-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]imidazolidin-2-one?
1-(3-chlorophenyl)-3-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 451.96 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 45268346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).