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

C15H14ClF2N5O2 — CID 118870067

IUPAC2-[1-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol
SMILESOCCc1nccn1Cc1cn(-c2ccc(Cl)c(OC(F)F)c2)nn1
InChIInChI=1S/C15H14ClF2N5O2/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
InChIKeySDYVDXMMCZXDQX-UHFFFAOYSA-N
MW369.76 g/mol
LogP2.30
Rot. Bonds7

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

2-[1-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol (PubChem CID 118870067) has the molecular formula C15H14ClF2N5O2 and a molecular weight of 369.76 g/mol. Its IUPAC name is 2-[1-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol
PubChem CID118870067
Molecular FormulaC15H14ClF2N5O2
Molecular Weight369.76 g/mol
Exact Mass369.08
IUPAC Name2-[1-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol
SMILESOCCc1nccn1Cc1cn(-c2ccc(Cl)c(OC(F)F)c2)nn1
InChIInChI=1S/C15H14ClF2N5O2/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
InChIKeySDYVDXMMCZXDQX-UHFFFAOYSA-N
XLogP2.30
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.76
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol?
The IUPAC name of 2-[1-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol (CID 118870067) is 2-[1-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol.
What is the SMILES notation for 2-[1-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol?
The canonical SMILES for 2-[1-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol is OCCc1nccn1Cc1cn(-c2ccc(Cl)c(OC(F)F)c2)nn1.
What is the InChIKey of 2-[1-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol?
The InChIKey is SDYVDXMMCZXDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N5O2/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-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol?
2-[1-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol has a molecular weight of 369.76 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methyl]imidazol-2-yl]ethanol is sourced from PubChem (CID 118870067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).