2-fluoro-5-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile

C18H20F4N4O — CID 45271516

IUPAC2-fluoro-5-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile
SMILESN#Cc1cc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)ccc1F
InChIInChI=1S/C18H20F4N4O/c19-16-2-1-15(11-13(16)12-23)26-10-9-25(17(26)27)8-7-24-5-3-14(4-6-24)18(20,21)22/h1-2,11,14H,3-10H2
InChIKeyHGYQVRAMBVYKQO-UHFFFAOYSA-N
MW384.38 g/mol
LogP3.21
Rot. Bonds4

About 2-fluoro-5-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile

2-fluoro-5-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile (PubChem CID 45271516) has the molecular formula C18H20F4N4O and a molecular weight of 384.38 g/mol. Its IUPAC name is 2-fluoro-5-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile
PubChem CID45271516
Molecular FormulaC18H20F4N4O
Molecular Weight384.38 g/mol
Exact Mass384.16
IUPAC Name2-fluoro-5-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile
SMILESN#Cc1cc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)ccc1F
InChIInChI=1S/C18H20F4N4O/c19-16-2-1-15(11-13(16)12-23)26-10-9-25(17(26)27)8-7-24-5-3-14(4-6-24)18(20,21)22/h1-2,11,14H,3-10H2
InChIKeyHGYQVRAMBVYKQO-UHFFFAOYSA-N
XLogP3.21
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2,4-difluorophenyl)-2,5-dimethylpiperazine-1-carboxamide
CID 11178122
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-trifluoromethyl-phenyl)-imidazolidin-2-one
CID 10545037
8K5G4U34CU
CID 44249745
C2Pjp69bqr
CID 44622882
1-(3-Iodophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 45269020
1-(Piperidin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 46881466
1-[2-(Azepan-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 46882051
1-(4-fluorobenzyl)-3-(4-fluorophenyl)tetrahydro-2H-imidazol-2-one
CID 4205196
3-[3-(1-Aza-bicyclo[2.2.2]oct-3-yl)-2-oxo-imidazolidin-1-yl]-benzonitrile
CID 10541977
1-(3-Cyano-phenyl)-3-{3-[4-(2-fluoro-benzyl)-piperidin-1-yl]-propyl}-urea
CID 22393307
1-(3-Cyano-phenyl)-3-{3-[3-(4-fluoro-benzyl)-piperidin-1-yl]-propyl}-urea
CID 22393329
1-(3-Cyano-phenyl)-3-{3-[3-(2-fluoro-benzyl)-piperidin-1-yl]-propyl}-urea
CID 22393395

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile?
The IUPAC name of 2-fluoro-5-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile (CID 45271516) is 2-fluoro-5-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile?
The canonical SMILES for 2-fluoro-5-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile is N#Cc1cc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)ccc1F.
What is the InChIKey of 2-fluoro-5-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile?
The InChIKey is HGYQVRAMBVYKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F4N4O/c19-16-2-1-15(11-13(16)12-23)26-10-9-25(17(26)27)8-7-24-5-3-14(4-6-24)18(20,21)22/h1-2,11,14H,3-10H2.
What are the key properties of 2-fluoro-5-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile?
2-fluoro-5-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile has a molecular weight of 384.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile is sourced from PubChem (CID 45271516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).