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

C17H20ClF4N3O — CID 45270702

IUPAC1-(3-chloro-2-fluorophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(Cl)c1F
InChIInChI=1S/C17H20ClF4N3O/c18-13-2-1-3-14(15(13)19)25-11-10-24(16(25)26)9-8-23-6-4-12(5-7-23)17(20,21)22/h1-3,12H,4-11H2
InChIKeyQFLHFFBCSDMNNW-UHFFFAOYSA-N
MW393.81 g/mol
LogP4.00
Rot. Bonds4

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

1-(3-chloro-2-fluorophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 45270702) has the molecular formula C17H20ClF4N3O and a molecular weight of 393.81 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID45270702
Molecular FormulaC17H20ClF4N3O
Molecular Weight393.81 g/mol
Exact Mass393.12
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(Cl)c1F
InChIInChI=1S/C17H20ClF4N3O/c18-13-2-1-3-14(15(13)19)25-11-10-24(16(25)26)9-8-23-6-4-12(5-7-23)17(20,21)22/h1-3,12H,4-11H2
InChIKeyQFLHFFBCSDMNNW-UHFFFAOYSA-N
XLogP4.00
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.81
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-2-fluorophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Zetidoline
CID 72155
Imidoline
CID 23728
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3,5-dichloro-phenyl)-imidazolidin-2-one
CID 10807044
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-chloro-phenyl)-imidazolidin-2-one
CID 9839497
1-(3-Chloro-phenyl)-3-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-imidazolidin-2-one
CID 20081921
1-(3-Iodophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 45269020
1-(3-Chlorophenyl)-3-(piperidin-2-ylmethyl)imidazolidin-2-one
CID 46881463
1-[2-(Azepan-1-yl)ethyl]-3-(3-chlorophenyl)imidazolidin-2-one
CID 46882004
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(4-chloro-phenyl)-imidazolidin-2-one
CID 10566536
1-(3-Chloro-4-methylphenyl)-4-(1-pyrrolidinylcarbonyl)piperazine
CID 971957
N-(3-chloro-4-fluorophenyl)pyrrolidine-1-carboxamide
CID 6466199
1-(3-Chlorophenyl)-3-[2-(2-methylpiperidin-1-yl)ethyl]imidazolidin-2-one
CID 45267270

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one (CID 45270702) is 1-(3-chloro-2-fluorophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one is O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is QFLHFFBCSDMNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClF4N3O/c18-13-2-1-3-14(15(13)19)25-11-10-24(16(25)26)9-8-23-6-4-12(5-7-23)17(20,21)22/h1-3,12H,4-11H2.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one?
1-(3-chloro-2-fluorophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 393.81 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 45270702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).