(1-methylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol

C11H9F3N2O — CID 79755971

IUPAC(1-methylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol
SMILESCn1ccnc1C(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H9F3N2O/c1-16-5-4-15-11(16)10(17)6-2-3-7(12)9(14)8(6)13/h2-5,10,17H,1H3
InChIKeyNKMCGUKOMVWEHJ-UHFFFAOYSA-N
MW242.20 g/mol
LogP1.92
Rot. Bonds2

About (1-methylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol

(1-methylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol (PubChem CID 79755971) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol
PubChem CID79755971
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name(1-methylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol
SMILESCn1ccnc1C(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H9F3N2O/c1-16-5-4-15-11(16)10(17)6-2-3-7(12)9(14)8(6)13/h2-5,10,17H,1H3
InChIKeyNKMCGUKOMVWEHJ-UHFFFAOYSA-N
XLogP1.92
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(1-ethylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol
CID 79755972
(3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanol
CID 64713098
(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methanol
CID 26722436
2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105011303
[2-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1-methylimidazol-2-yl)methanol
CID 110220784
N-methyl-2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105011558
(2-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol
CID 105097054
(2,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol
CID 2891507
(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol
CID 2870378
(1-methylimidazol-2-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanol
CID 103128850
(2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanamine
CID 63974752
methane;1-(1-methylimidazol-2-yl)ethanol
CID 174578222

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol?
The IUPAC name of (1-methylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol (CID 79755971) is (1-methylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol is Cn1ccnc1C(O)c1ccc(F)c(F)c1F.
What is the InChIKey of (1-methylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol?
The InChIKey is NKMCGUKOMVWEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-16-5-4-15-11(16)10(17)6-2-3-7(12)9(14)8(6)13/h2-5,10,17H,1H3.
What are the key properties of (1-methylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol?
(1-methylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol has a molecular weight of 242.20 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol is sourced from PubChem (CID 79755971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).