3-[2-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]imidazol-1-yl]propan-1-ol

C17H15F3N2O3 — CID 166612472

IUPAC3-[2-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]imidazol-1-yl]propan-1-ol
SMILESOCCCn1ccnc1-c1ccc(-c2ccc(OC(F)(F)F)cc2)o1
InChIInChI=1S/C17H15F3N2O3/c18-17(19,20)25-13-4-2-12(3-5-13)14-6-7-15(24-14)16-21-8-10-22(16)9-1-11-23/h2-8,10,23H,1,9,11H2
InChIKeyIFHCOMSKRGNFRC-UHFFFAOYSA-N
MW352.31 g/mol
LogP4.09
Rot. Bonds6

About 3-[2-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]imidazol-1-yl]propan-1-ol

3-[2-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]imidazol-1-yl]propan-1-ol (PubChem CID 166612472) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is 3-[2-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]imidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]imidazol-1-yl]propan-1-ol
PubChem CID166612472
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC Name3-[2-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]imidazol-1-yl]propan-1-ol
SMILESOCCCn1ccnc1-c1ccc(-c2ccc(OC(F)(F)F)cc2)o1
InChIInChI=1S/C17H15F3N2O3/c18-17(19,20)25-13-4-2-12(3-5-13)14-6-7-15(24-14)16-21-8-10-22(16)9-1-11-23/h2-8,10,23H,1,9,11H2
InChIKeyIFHCOMSKRGNFRC-UHFFFAOYSA-N
XLogP4.09
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-iodo-2-[4-(trifluoromethoxy)phenyl]imidazole
CID 174608293
1-ethyl-4-[[2-[5-(4-methoxyphenyl)furan-2-yl]imidazol-1-yl]methyl]imidazole
CID 154820768
3-[2-[4-[(1S)-1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]propan-1-ol
CID 95549869
2-[4-(2-methylimidazol-1-yl)butyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111817871
10-[4-(trifluoromethoxy)phenyl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
CID 71150357
2-(4-iodophenyl)-1-(4,4,4-trifluorobutyl)imidazole
CID 113327565
formic acid;2-methyl-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol
CID 163333876
3-amino-3-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]propanamide
CID 170876267
5-[4-(trifluoromethoxy)phenyl]furan-2-carbonyl azide
CID 19014305
2-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]ethanol
CID 126475536
1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperazine
CID 141351583
3-[3-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propan-1-ol
CID 90405525

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]imidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[2-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]imidazol-1-yl]propan-1-ol (CID 166612472) is 3-[2-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]imidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[2-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]imidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[2-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]imidazol-1-yl]propan-1-ol is OCCCn1ccnc1-c1ccc(-c2ccc(OC(F)(F)F)cc2)o1.
What is the InChIKey of 3-[2-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]imidazol-1-yl]propan-1-ol?
The InChIKey is IFHCOMSKRGNFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c18-17(19,20)25-13-4-2-12(3-5-13)14-6-7-15(24-14)16-21-8-10-22(16)9-1-11-23/h2-8,10,23H,1,9,11H2.
What are the key properties of 3-[2-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]imidazol-1-yl]propan-1-ol?
3-[2-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]imidazol-1-yl]propan-1-ol has a molecular weight of 352.31 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]imidazol-1-yl]propan-1-ol is sourced from PubChem (CID 166612472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).