2-[1-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol

C15H14F3N5O2 — CID 118870066

IUPAC2-[1-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol
SMILESOCCc1nccn1Cc1cn(-c2ccc(F)c(OC(F)F)c2)nn1
InChIInChI=1S/C15H14F3N5O2/c16-12-2-1-11(7-13(12)25-15(17)18)23-9-10(20-21-23)8-22-5-4-19-14(22)3-6-24/h1-2,4-5,7,9,15,24H,3,6,8H2
InChIKeyCQYRYSJJBAIWRQ-UHFFFAOYSA-N
MW353.30 g/mol
LogP1.79
Rot. Bonds7

About 2-[1-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol

2-[1-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol (PubChem CID 118870066) has the molecular formula C15H14F3N5O2 and a molecular weight of 353.30 g/mol. Its IUPAC name is 2-[1-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol
PubChem CID118870066
Molecular FormulaC15H14F3N5O2
Molecular Weight353.30 g/mol
Exact Mass353.11
IUPAC Name2-[1-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol
SMILESOCCc1nccn1Cc1cn(-c2ccc(F)c(OC(F)F)c2)nn1
InChIInChI=1S/C15H14F3N5O2/c16-12-2-1-11(7-13(12)25-15(17)18)23-9-10(20-21-23)8-22-5-4-19-14(22)3-6-24/h1-2,4-5,7,9,15,24H,3,6,8H2
InChIKeyCQYRYSJJBAIWRQ-UHFFFAOYSA-N
XLogP1.79
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

US10071988, Example 167
CID 130302351
US10071988, Example 63
CID 130309420
US10071988, Example 64
CID 130309423
US10071988, Example 165
CID 130309507
US10071988, Example 499
CID 130309770
US10071988, Example 500
CID 130309771
US10071988, Example 510
CID 130309783
US10071988, Example 503
CID 130309786
US9981950, Example 110
CID 118870090
US9981950, Example 98
CID 118870067
US9981950, Example 57
CID 118870077
US9981950, Example 100
CID 118870087

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol?
The IUPAC name of 2-[1-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol (CID 118870066) is 2-[1-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol.
What is the SMILES notation for 2-[1-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol?
The canonical SMILES for 2-[1-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol is OCCc1nccn1Cc1cn(-c2ccc(F)c(OC(F)F)c2)nn1.
What is the InChIKey of 2-[1-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol?
The InChIKey is CQYRYSJJBAIWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O2/c16-12-2-1-11(7-13(12)25-15(17)18)23-9-10(20-21-23)8-22-5-4-19-14(22)3-6-24/h1-2,4-5,7,9,15,24H,3,6,8H2.
What are the key properties of 2-[1-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol?
2-[1-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol has a molecular weight of 353.30 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol is sourced from PubChem (CID 118870066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).