1-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pentan-1-ol

C16H19F3N2O — CID 11529705

IUPAC1-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pentan-1-ol
SMILESCCCCC(O)(c1cccc(C(F)(F)F)c1)c1nccn1C
InChIInChI=1S/C16H19F3N2O/c1-3-4-8-15(22,14-20-9-10-21(14)2)12-6-5-7-13(11-12)16(17,18)19/h5-7,9-11,22H,3-4,8H2,1-2H3
InChIKeyDOEYYTQISIVAMY-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.87
Rot. Bonds5

About 1-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pentan-1-ol

1-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pentan-1-ol (PubChem CID 11529705) has the molecular formula C16H19F3N2O and a molecular weight of 312.34 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pentan-1-ol.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pentan-1-ol
PubChem CID11529705
Molecular FormulaC16H19F3N2O
Molecular Weight312.34 g/mol
Exact Mass312.14
IUPAC Name1-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pentan-1-ol
SMILESCCCCC(O)(c1cccc(C(F)(F)F)c1)c1nccn1C
InChIInChI=1S/C16H19F3N2O/c1-3-4-8-15(22,14-20-9-10-21(14)2)12-6-5-7-13(11-12)16(17,18)19/h5-7,9-11,22H,3-4,8H2,1-2H3
InChIKeyDOEYYTQISIVAMY-UHFFFAOYSA-N
XLogP3.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol
CID 11709410
1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol
CID 11514644
N,N-dimethyl-3-[1-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pentoxy]propan-1-amine
CID 11610971
2-(1-methylimidazol-2-yl)heptan-2-ol
CID 80558802
4-(1-methylimidazol-2-yl)heptan-4-ol
CID 114865853
(1-methylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 5303840
3-[difluoro-(1-methylimidazol-2-yl)methyl]benzaldehyde
CID 83856202
(2R)-1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 97087124
2-propyl-2-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 63541225
1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 114872417
2-(1-methylimidazol-2-yl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 4138789
[4-[hydroxy-bis(1-methylimidazol-2-yl)methyl]phenyl]-bis(1-methylimidazol-2-yl)methanol
CID 101095926

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pentan-1-ol?
The IUPAC name of 1-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pentan-1-ol (CID 11529705) is 1-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pentan-1-ol.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pentan-1-ol?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pentan-1-ol is CCCCC(O)(c1cccc(C(F)(F)F)c1)c1nccn1C.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pentan-1-ol?
The InChIKey is DOEYYTQISIVAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O/c1-3-4-8-15(22,14-20-9-10-21(14)2)12-6-5-7-13(11-12)16(17,18)19/h5-7,9-11,22H,3-4,8H2,1-2H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pentan-1-ol?
1-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pentan-1-ol has a molecular weight of 312.34 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pentan-1-ol is sourced from PubChem (CID 11529705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).