(3S,4R)-4-[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]pyrrolidin-3-ol

C15H16F3N3O — CID 155501353

IUPAC(3S,4R)-4-[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]pyrrolidin-3-ol
SMILESO[C@H]1CNC[C@H]1n1ccnc1-c1cccc(CC(F)(F)F)c1
InChIInChI=1S/C15H16F3N3O/c16-15(17,18)7-10-2-1-3-11(6-10)14-20-4-5-21(14)12-8-19-9-13(12)22/h1-6,12-13,19,22H,7-9H2/t12-,13+/m1/s1
InChIKeyFAKRYHAHLSPADX-OLZOCXBDSA-N
MW311.31 g/mol
LogP2.16
Rot. Bonds3

About (3S,4R)-4-[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]pyrrolidin-3-ol

(3S,4R)-4-[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]pyrrolidin-3-ol (PubChem CID 155501353) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is (3S,4R)-4-[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]pyrrolidin-3-ol
PubChem CID155501353
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name(3S,4R)-4-[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]pyrrolidin-3-ol
SMILESO[C@H]1CNC[C@H]1n1ccnc1-c1cccc(CC(F)(F)F)c1
InChIInChI=1S/C15H16F3N3O/c16-15(17,18)7-10-2-1-3-11(6-10)14-20-4-5-21(14)12-8-19-9-13(12)22/h1-6,12-13,19,22H,7-9H2/t12-,13+/m1/s1
InChIKeyFAKRYHAHLSPADX-OLZOCXBDSA-N
XLogP2.16
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]piperidin-3-ol
CID 154823350
[4-[[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]methyl]cyclohexyl]methanol
CID 155911999
(3S,4S)-4-[2-(3,4-difluorophenyl)imidazol-1-yl]piperidin-3-ol
CID 154821312
1-[(3S)-pyrrolidin-3-yl]-2-[4-(2,2,2-trifluoroethyl)phenyl]imidazole;dihydrochloride
CID 154923690
(3S,4S)-4-(2-pyridin-3-ylimidazol-1-yl)piperidin-3-ol
CID 154818382
(3S,4S)-4-[2-(3-chloro-4-fluorophenyl)imidazol-1-yl]piperidin-3-ol
CID 154564535
1-[3-(1-cyclopropylimidazol-2-yl)phenyl]-N,N-dimethylmethanamine
CID 155919706
cis-(1S,3R)-3-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]cyclopentan-1-ol
CID 155914793
(3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol
CID 154817273
1-(2-bicyclo[2.2.1]heptanyl)-2-(3-iodophenyl)imidazole
CID 114246983
(3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol;dihydrochloride
CID 163334678
4-[2-(3-bromophenyl)imidazol-1-yl]piperidine
CID 82559766

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-4-[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]pyrrolidin-3-ol (CID 155501353) is (3S,4R)-4-[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-4-[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-4-[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]pyrrolidin-3-ol is O[C@H]1CNC[C@H]1n1ccnc1-c1cccc(CC(F)(F)F)c1.
What is the InChIKey of (3S,4R)-4-[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]pyrrolidin-3-ol?
The InChIKey is FAKRYHAHLSPADX-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H16F3N3O/c16-15(17,18)7-10-2-1-3-11(6-10)14-20-4-5-21(14)12-8-19-9-13(12)22/h1-6,12-13,19,22H,7-9H2/t12-,13+/m1/s1.
What are the key properties of (3S,4R)-4-[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]pyrrolidin-3-ol?
(3S,4R)-4-[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]pyrrolidin-3-ol has a molecular weight of 311.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]pyrrolidin-3-ol is sourced from PubChem (CID 155501353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).