2-(2,6-difluoro-4-methoxyphenyl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole

C17H18F2N4O — CID 56874865

IUPAC2-(2,6-difluoro-4-methoxyphenyl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole
SMILESCOc1cc(F)c(-c2nccn2C(C)CCn2cccn2)c(F)c1
InChIInChI=1S/C17H18F2N4O/c1-12(4-8-22-7-3-5-21-22)23-9-6-20-17(23)16-14(18)10-13(24-2)11-15(16)19/h3,5-7,9-12H,4,8H2,1-2H3
InChIKeyLTKMPBLZHYYEAE-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.68
Rot. Bonds6

About 2-(2,6-difluoro-4-methoxyphenyl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole

2-(2,6-difluoro-4-methoxyphenyl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole (PubChem CID 56874865) has the molecular formula C17H18F2N4O and a molecular weight of 332.35 g/mol. Its IUPAC name is 2-(2,6-difluoro-4-methoxyphenyl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole.

Molecular Properties

Compound Name2-(2,6-difluoro-4-methoxyphenyl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole
PubChem CID56874865
Molecular FormulaC17H18F2N4O
Molecular Weight332.35 g/mol
Exact Mass332.14
IUPAC Name2-(2,6-difluoro-4-methoxyphenyl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole
SMILESCOc1cc(F)c(-c2nccn2C(C)CCn2cccn2)c(F)c1
InChIInChI=1S/C17H18F2N4O/c1-12(4-8-22-7-3-5-21-22)23-9-6-20-17(23)16-14(18)10-13(24-2)11-15(16)19/h3,5-7,9-12H,4,8H2,1-2H3
InChIKeyLTKMPBLZHYYEAE-UHFFFAOYSA-N
XLogP3.68
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-4-methoxyphenyl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole?
The IUPAC name of 2-(2,6-difluoro-4-methoxyphenyl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole (CID 56874865) is 2-(2,6-difluoro-4-methoxyphenyl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole.
What is the SMILES notation for 2-(2,6-difluoro-4-methoxyphenyl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole?
The canonical SMILES for 2-(2,6-difluoro-4-methoxyphenyl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole is COc1cc(F)c(-c2nccn2C(C)CCn2cccn2)c(F)c1.
What is the InChIKey of 2-(2,6-difluoro-4-methoxyphenyl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole?
The InChIKey is LTKMPBLZHYYEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O/c1-12(4-8-22-7-3-5-21-22)23-9-6-20-17(23)16-14(18)10-13(24-2)11-15(16)19/h3,5-7,9-12H,4,8H2,1-2H3.
What are the key properties of 2-(2,6-difluoro-4-methoxyphenyl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole?
2-(2,6-difluoro-4-methoxyphenyl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole has a molecular weight of 332.35 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-4-methoxyphenyl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole is sourced from PubChem (CID 56874865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).