[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methanol

C12H13F3N2OSe — CID 177324181

IUPAC[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methanol
SMILESCC(C)n1cc(C(F)(F)F)nc1-c1ccc(CO)[se]1
InChIInChI=1S/C12H13F3N2OSe/c1-7(2)17-5-10(12(13,14)15)16-11(17)9-4-3-8(6-18)19-9/h3-5,7,18H,6H2,1-2H3
InChIKeyCGJDXNSFLLZCSV-UHFFFAOYSA-N
MW337.20 g/mol
LogP2.70
Rot. Bonds3

About [5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methanol

[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methanol (PubChem CID 177324181) has the molecular formula C12H13F3N2OSe and a molecular weight of 337.20 g/mol. Its IUPAC name is [5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methanol.

Molecular Properties

Compound Name[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methanol
PubChem CID177324181
Molecular FormulaC12H13F3N2OSe
Molecular Weight337.20 g/mol
Exact Mass338.01
IUPAC Name[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methanol
SMILESCC(C)n1cc(C(F)(F)F)nc1-c1ccc(CO)[se]1
InChIInChI=1S/C12H13F3N2OSe/c1-7(2)17-5-10(12(13,14)15)16-11(17)9-4-3-8(6-18)19-9/h3-5,7,18H,6H2,1-2H3
InChIKeyCGJDXNSFLLZCSV-UHFFFAOYSA-N
XLogP2.70
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[1-Ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methanol
CID 147358227
[4-[1-Methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol
CID 149043281
(4-(1-Methyl-4-(trifluoromethyl)-1H-imidazol-2-YL)phenyl)methanol
CID 149705445
Ethane;[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
CID 153621005
3-Fluoro-4-[1-methyl-4-(trifluoromethyl)-2-imidazolyl]benzyl Alcohol
CID 153621092
[4-[1-Ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
CID 153621124
1-[4-[1-Methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol
CID 153621268
(4-(1-Isopropyl-4-(trifluoromethyl)-1H-imidazol-2-YL)phenyl)methanol
CID 156274036
[3-Fluoro-4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]methanol
CID 162378127
(1R)-1-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol
CID 162378159
2,2,2-Trifluoro-1-[3-fluoro-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol
CID 162378350
(4-(1-(2-Fluoroethyl)-4-(trifluoromethyl)-1H-imidazol-2-yl)phenyl)methanol
CID 162378363

Frequently Asked Questions

What is the IUPAC name of [5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methanol?
The IUPAC name of [5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methanol (CID 177324181) is [5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methanol.
What is the SMILES notation for [5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methanol?
The canonical SMILES for [5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methanol is CC(C)n1cc(C(F)(F)F)nc1-c1ccc(CO)[se]1.
What is the InChIKey of [5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methanol?
The InChIKey is CGJDXNSFLLZCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2OSe/c1-7(2)17-5-10(12(13,14)15)16-11(17)9-4-3-8(6-18)19-9/h3-5,7,18H,6H2,1-2H3.
What are the key properties of [5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methanol?
[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methanol has a molecular weight of 337.20 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methanol is sourced from PubChem (CID 177324181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).