4-(2,5-difluorophenyl)-1-[3-(2-methylimidazol-1-yl)propyl]triazole

C15H15F2N5 — CID 166251391

IUPAC4-(2,5-difluorophenyl)-1-[3-(2-methylimidazol-1-yl)propyl]triazole
SMILESCc1nccn1CCCn1cc(-c2cc(F)ccc2F)nn1
InChIInChI=1S/C15H15F2N5/c1-11-18-5-8-21(11)6-2-7-22-10-15(19-20-22)13-9-12(16)3-4-14(13)17/h3-5,8-10H,2,6-7H2,1H3
InChIKeyJHETYTBODXUHIG-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.82
Rot. Bonds5

About 4-(2,5-difluorophenyl)-1-[3-(2-methylimidazol-1-yl)propyl]triazole

4-(2,5-difluorophenyl)-1-[3-(2-methylimidazol-1-yl)propyl]triazole (PubChem CID 166251391) has the molecular formula C15H15F2N5 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-1-[3-(2-methylimidazol-1-yl)propyl]triazole.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-1-[3-(2-methylimidazol-1-yl)propyl]triazole
PubChem CID166251391
Molecular FormulaC15H15F2N5
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name4-(2,5-difluorophenyl)-1-[3-(2-methylimidazol-1-yl)propyl]triazole
SMILESCc1nccn1CCCn1cc(-c2cc(F)ccc2F)nn1
InChIInChI=1S/C15H15F2N5/c1-11-18-5-8-21(11)6-2-7-22-10-15(19-20-22)13-9-12(16)3-4-14(13)17/h3-5,8-10H,2,6-7H2,1H3
InChIKeyJHETYTBODXUHIG-UHFFFAOYSA-N
XLogP2.82
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-1-[3-(2-methylimidazol-1-yl)propyl]triazole?
The IUPAC name of 4-(2,5-difluorophenyl)-1-[3-(2-methylimidazol-1-yl)propyl]triazole (CID 166251391) is 4-(2,5-difluorophenyl)-1-[3-(2-methylimidazol-1-yl)propyl]triazole.
What is the SMILES notation for 4-(2,5-difluorophenyl)-1-[3-(2-methylimidazol-1-yl)propyl]triazole?
The canonical SMILES for 4-(2,5-difluorophenyl)-1-[3-(2-methylimidazol-1-yl)propyl]triazole is Cc1nccn1CCCn1cc(-c2cc(F)ccc2F)nn1.
What is the InChIKey of 4-(2,5-difluorophenyl)-1-[3-(2-methylimidazol-1-yl)propyl]triazole?
The InChIKey is JHETYTBODXUHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5/c1-11-18-5-8-21(11)6-2-7-22-10-15(19-20-22)13-9-12(16)3-4-14(13)17/h3-5,8-10H,2,6-7H2,1H3.
What are the key properties of 4-(2,5-difluorophenyl)-1-[3-(2-methylimidazol-1-yl)propyl]triazole?
4-(2,5-difluorophenyl)-1-[3-(2-methylimidazol-1-yl)propyl]triazole has a molecular weight of 303.32 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-1-[3-(2-methylimidazol-1-yl)propyl]triazole is sourced from PubChem (CID 166251391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).