2-(2,4-difluorophenyl)-3-methyl-1-(2H-triazol-4-yl)-5-[4-(2H-triazol-4-yl)phenyl]pentan-2-ol

C22H22F2N6O — CID 22360315

IUPAC2-(2,4-difluorophenyl)-3-methyl-1-(2H-triazol-4-yl)-5-[4-(2H-triazol-4-yl)phenyl]pentan-2-ol
SMILESCC(CCc1ccc(-c2cn[nH]n2)cc1)C(O)(Cc1cn[nH]n1)c1ccc(F)cc1F
InChIInChI=1S/C22H22F2N6O/c1-14(2-3-15-4-6-16(7-5-15)21-13-26-30-28-21)22(31,11-18-12-25-29-27-18)19-9-8-17(23)10-20(19)24/h4-10,12-14,31H,2-3,11H2,1H3,(H,25,27,29)(H,26,28,30)
InChIKeyLDZNHWHAUWYICF-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.57
Rot. Bonds8

About 2-(2,4-difluorophenyl)-3-methyl-1-(2H-triazol-4-yl)-5-[4-(2H-triazol-4-yl)phenyl]pentan-2-ol

2-(2,4-difluorophenyl)-3-methyl-1-(2H-triazol-4-yl)-5-[4-(2H-triazol-4-yl)phenyl]pentan-2-ol (PubChem CID 22360315) has the molecular formula C22H22F2N6O and a molecular weight of 424.46 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-3-methyl-1-(2H-triazol-4-yl)-5-[4-(2H-triazol-4-yl)phenyl]pentan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-3-methyl-1-(2H-triazol-4-yl)-5-[4-(2H-triazol-4-yl)phenyl]pentan-2-ol
PubChem CID22360315
Molecular FormulaC22H22F2N6O
Molecular Weight424.46 g/mol
Exact Mass424.18
IUPAC Name2-(2,4-difluorophenyl)-3-methyl-1-(2H-triazol-4-yl)-5-[4-(2H-triazol-4-yl)phenyl]pentan-2-ol
SMILESCC(CCc1ccc(-c2cn[nH]n2)cc1)C(O)(Cc1cn[nH]n1)c1ccc(F)cc1F
InChIInChI=1S/C22H22F2N6O/c1-14(2-3-15-4-6-16(7-5-15)21-13-26-30-28-21)22(31,11-18-12-25-29-27-18)19-9-8-17(23)10-20(19)24/h4-10,12-14,31H,2-3,11H2,1H3,(H,25,27,29)(H,26,28,30)
InChIKeyLDZNHWHAUWYICF-UHFFFAOYSA-N
XLogP3.57
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-3-methyl-1-(2H-triazol-4-yl)-5-[4-(2H-triazol-4-yl)phenyl]pentan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-3-methyl-1-(2H-triazol-4-yl)-5-[4-(2H-triazol-4-yl)phenyl]pentan-2-ol (CID 22360315) is 2-(2,4-difluorophenyl)-3-methyl-1-(2H-triazol-4-yl)-5-[4-(2H-triazol-4-yl)phenyl]pentan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-3-methyl-1-(2H-triazol-4-yl)-5-[4-(2H-triazol-4-yl)phenyl]pentan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-3-methyl-1-(2H-triazol-4-yl)-5-[4-(2H-triazol-4-yl)phenyl]pentan-2-ol is CC(CCc1ccc(-c2cn[nH]n2)cc1)C(O)(Cc1cn[nH]n1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-3-methyl-1-(2H-triazol-4-yl)-5-[4-(2H-triazol-4-yl)phenyl]pentan-2-ol?
The InChIKey is LDZNHWHAUWYICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N6O/c1-14(2-3-15-4-6-16(7-5-15)21-13-26-30-28-21)22(31,11-18-12-25-29-27-18)19-9-8-17(23)10-20(19)24/h4-10,12-14,31H,2-3,11H2,1H3,(H,25,27,29)(H,26,28,30).
What are the key properties of 2-(2,4-difluorophenyl)-3-methyl-1-(2H-triazol-4-yl)-5-[4-(2H-triazol-4-yl)phenyl]pentan-2-ol?
2-(2,4-difluorophenyl)-3-methyl-1-(2H-triazol-4-yl)-5-[4-(2H-triazol-4-yl)phenyl]pentan-2-ol has a molecular weight of 424.46 g/mol, XLogP of 3.57, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-3-methyl-1-(2H-triazol-4-yl)-5-[4-(2H-triazol-4-yl)phenyl]pentan-2-ol is sourced from PubChem (CID 22360315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).