2-(2,6-difluoro-4-methoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]imidazole

C15H14F2N4O — CID 56875739

IUPAC2-(2,6-difluoro-4-methoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]imidazole
SMILESCOc1cc(F)c(-c2nccn2Cc2cnn(C)c2)c(F)c1
InChIInChI=1S/C15H14F2N4O/c1-20-8-10(7-19-20)9-21-4-3-18-15(21)14-12(16)5-11(22-2)6-13(14)17/h3-8H,9H2,1-2H3
InChIKeyGYPGBVHWBWKXAL-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.62
Rot. Bonds4

About 2-(2,6-difluoro-4-methoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]imidazole

2-(2,6-difluoro-4-methoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]imidazole (PubChem CID 56875739) has the molecular formula C15H14F2N4O and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-(2,6-difluoro-4-methoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]imidazole.

Molecular Properties

Compound Name2-(2,6-difluoro-4-methoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]imidazole
PubChem CID56875739
Molecular FormulaC15H14F2N4O
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name2-(2,6-difluoro-4-methoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]imidazole
SMILESCOc1cc(F)c(-c2nccn2Cc2cnn(C)c2)c(F)c1
InChIInChI=1S/C15H14F2N4O/c1-20-8-10(7-19-20)9-21-4-3-18-15(21)14-12(16)5-11(22-2)6-13(14)17/h3-8H,9H2,1-2H3
InChIKeyGYPGBVHWBWKXAL-UHFFFAOYSA-N
XLogP2.62
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.62
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-[(1-methylpyrazol-4-yl)methyl]imidazole?
The IUPAC name of 2-(2,6-difluoro-4-methoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]imidazole (CID 56875739) is 2-(2,6-difluoro-4-methoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]imidazole.
What is the SMILES notation for 2-(2,6-difluoro-4-methoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]imidazole?
The canonical SMILES for 2-(2,6-difluoro-4-methoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]imidazole is COc1cc(F)c(-c2nccn2Cc2cnn(C)c2)c(F)c1.
What is the InChIKey of 2-(2,6-difluoro-4-methoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]imidazole?
The InChIKey is GYPGBVHWBWKXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O/c1-20-8-10(7-19-20)9-21-4-3-18-15(21)14-12(16)5-11(22-2)6-13(14)17/h3-8H,9H2,1-2H3.
What are the key properties of 2-(2,6-difluoro-4-methoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]imidazole?
2-(2,6-difluoro-4-methoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]imidazole has a molecular weight of 304.30 g/mol, XLogP of 2.62, 4 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-[(1-methylpyrazol-4-yl)methyl]imidazole is sourced from PubChem (CID 56875739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).