1-(3-chlorophenyl)-3-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]imidazolidin-2-one

C22H25Cl2N3O — CID 45268345

IUPAC1-(3-chlorophenyl)-3-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1N(CCN2CCC(c3ccc(Cl)cc3)CC2)CCN1c1cccc(Cl)c1
InChIInChI=1S/C22H25Cl2N3O/c23-19-6-4-17(5-7-19)18-8-10-25(11-9-18)12-13-26-14-15-27(22(26)28)21-3-1-2-20(24)16-21/h1-7,16,18H,8-15H2
InChIKeyNCDNWTYTZTXJIU-UHFFFAOYSA-N
MW418.37 g/mol
LogP5.11
Rot. Bonds5

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

1-(3-chlorophenyl)-3-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 45268345) has the molecular formula C22H25Cl2N3O and a molecular weight of 418.37 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID45268345
Molecular FormulaC22H25Cl2N3O
Molecular Weight418.37 g/mol
Exact Mass417.14
IUPAC Name1-(3-chlorophenyl)-3-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1N(CCN2CCC(c3ccc(Cl)cc3)CC2)CCN1c1cccc(Cl)c1
InChIInChI=1S/C22H25Cl2N3O/c23-19-6-4-17(5-7-19)18-8-10-25(11-9-18)12-13-26-14-15-27(22(26)28)21-3-1-2-20(24)16-21/h1-7,16,18H,8-15H2
InChIKeyNCDNWTYTZTXJIU-UHFFFAOYSA-N
XLogP5.11
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.37
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]imidazolidin-2-one (CID 45268345) is 1-(3-chlorophenyl)-3-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]imidazolidin-2-one is O=C1N(CCN2CCC(c3ccc(Cl)cc3)CC2)CCN1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is NCDNWTYTZTXJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O/c23-19-6-4-17(5-7-19)18-8-10-25(11-9-18)12-13-26-14-15-27(22(26)28)21-3-1-2-20(24)16-21/h1-7,16,18H,8-15H2.
What are the key properties of 1-(3-chlorophenyl)-3-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]imidazolidin-2-one?
1-(3-chlorophenyl)-3-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 418.37 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 45268345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).