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

C17H21F3IN3O — CID 45269020

IUPAC1-(3-iodophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(I)c1
InChIInChI=1S/C17H21F3IN3O/c18-17(19,20)13-4-6-22(7-5-13)8-9-23-10-11-24(16(23)25)15-3-1-2-14(21)12-15/h1-3,12-13H,4-11H2
InChIKeyXZXRXUCWJOQZBL-UHFFFAOYSA-N
MW467.27 g/mol
LogP3.81
Rot. Bonds4

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

1-(3-iodophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 45269020) has the molecular formula C17H21F3IN3O and a molecular weight of 467.27 g/mol. Its IUPAC name is 1-(3-iodophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-iodophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID45269020
Molecular FormulaC17H21F3IN3O
Molecular Weight467.27 g/mol
Exact Mass467.07
IUPAC Name1-(3-iodophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(I)c1
InChIInChI=1S/C17H21F3IN3O/c18-17(19,20)13-4-6-22(7-5-13)8-9-23-10-11-24(16(23)25)15-3-1-2-14(21)12-15/h1-3,12-13H,4-11H2
InChIKeyXZXRXUCWJOQZBL-UHFFFAOYSA-N
XLogP3.81
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.27
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-(3-iodophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one (CID 45269020) is 1-(3-iodophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3-iodophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-(3-iodophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one is O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(I)c1.
What is the InChIKey of 1-(3-iodophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is XZXRXUCWJOQZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3IN3O/c18-17(19,20)13-4-6-22(7-5-13)8-9-23-10-11-24(16(23)25)15-3-1-2-14(21)12-15/h1-3,12-13H,4-11H2.
What are the key properties of 1-(3-iodophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one?
1-(3-iodophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 467.27 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 45269020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).