acetic acid;cis-(1S,3R)-3-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]cyclopentan-1-ol

C17H19F3N2O3 — CID 155972389

IUPACacetic acid;cis-(1S,3R)-3-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]cyclopentan-1-ol
SMILESCC(=O)O.O[C@H]1CC[C@@H](n2ccnc2-c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H15F3N2O.C2H4O2/c16-15(17,18)11-3-1-2-10(8-11)14-19-6-7-20(14)12-4-5-13(21)9-12;1-2(3)4/h1-3,6-8,12-13,21H,4-5,9H2;1H3,(H,3,4)/t12-,13+;/m1./s1
InChIKeyLWXJGZTVSINHEN-KZCZEQIWSA-N
MW356.34 g/mol
LogP3.75
Rot. Bonds2

About acetic acid;cis-(1S,3R)-3-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]cyclopentan-1-ol

acetic acid;cis-(1S,3R)-3-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]cyclopentan-1-ol (PubChem CID 155972389) has the molecular formula C17H19F3N2O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is acetic acid;cis-(1S,3R)-3-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Nameacetic acid;cis-(1S,3R)-3-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]cyclopentan-1-ol
PubChem CID155972389
Molecular FormulaC17H19F3N2O3
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC Nameacetic acid;cis-(1S,3R)-3-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]cyclopentan-1-ol
SMILESCC(=O)O.O[C@H]1CC[C@@H](n2ccnc2-c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H15F3N2O.C2H4O2/c16-15(17,18)11-3-1-2-10(8-11)14-19-6-7-20(14)12-4-5-13(21)9-12;1-2(3)4/h1-3,6-8,12-13,21H,4-5,9H2;1H3,(H,3,4)/t12-,13+;/m1./s1
InChIKeyLWXJGZTVSINHEN-KZCZEQIWSA-N
XLogP3.75
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,3R)-3-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]cyclopentan-1-ol
CID 155914793
acetic acid;3-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-1-oxa-8-azaspiro[4.5]decane
CID 154920020
(2S,4R)-2-ethyl-4-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]piperidine
CID 154566736
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 63762528
(E)-but-2-enedioic acid;2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole
CID 67153023
1-[3-(1-cyclopropylimidazol-2-yl)phenyl]-N,N-dimethylmethanamine
CID 155919706
2-(3-iodophenyl)-1-(3-methylcyclohexyl)imidazole
CID 79787135
1-cyclopropyl-4,5-diiodo-2-[3-(trifluoromethyl)phenyl]imidazole
CID 67133053
6-oxa-2-azabicyclo[3.2.1]octan-2-yl-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methanone
CID 166280582
N-[2-[4-cyclopropyl-5-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-2,2-dimethylpropanamide
CID 121078899
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 171949810
acetic acid;4-[2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazol-1-yl]-1-propylpyrrolidin-2-one
CID 155971822

Frequently Asked Questions

What is the IUPAC name of acetic acid;cis-(1S,3R)-3-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]cyclopentan-1-ol?
The IUPAC name of acetic acid;cis-(1S,3R)-3-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]cyclopentan-1-ol (CID 155972389) is acetic acid;cis-(1S,3R)-3-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]cyclopentan-1-ol.
What is the SMILES notation for acetic acid;cis-(1S,3R)-3-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]cyclopentan-1-ol?
The canonical SMILES for acetic acid;cis-(1S,3R)-3-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]cyclopentan-1-ol is CC(=O)O.O[C@H]1CC[C@@H](n2ccnc2-c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of acetic acid;cis-(1S,3R)-3-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]cyclopentan-1-ol?
The InChIKey is LWXJGZTVSINHEN-KZCZEQIWSA-N. The full InChI is InChI=1S/C15H15F3N2O.C2H4O2/c16-15(17,18)11-3-1-2-10(8-11)14-19-6-7-20(14)12-4-5-13(21)9-12;1-2(3)4/h1-3,6-8,12-13,21H,4-5,9H2;1H3,(H,3,4)/t12-,13+;/m1./s1.
What are the key properties of acetic acid;cis-(1S,3R)-3-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]cyclopentan-1-ol?
acetic acid;cis-(1S,3R)-3-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]cyclopentan-1-ol has a molecular weight of 356.34 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;cis-(1S,3R)-3-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]cyclopentan-1-ol is sourced from PubChem (CID 155972389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).