2-[1-[3-(difluoromethyl)-2-methylphenoxy]butyl]-1H-imidazole

C15H18F2N2O — CID 25264962

IUPAC2-[1-[3-(difluoromethyl)-2-methylphenoxy]butyl]-1H-imidazole
SMILESCCCC(Oc1cccc(C(F)F)c1C)c1ncc[nH]1
InChIInChI=1S/C15H18F2N2O/c1-3-5-13(15-18-8-9-19-15)20-12-7-4-6-11(10(12)2)14(16)17/h4,6-9,13-14H,3,5H2,1-2H3,(H,18,19)
InChIKeyBSHJRPRKDXETOJ-UHFFFAOYSA-N
MW280.32 g/mol
LogP4.58
Rot. Bonds6

About 2-[1-[3-(difluoromethyl)-2-methylphenoxy]butyl]-1H-imidazole

2-[1-[3-(difluoromethyl)-2-methylphenoxy]butyl]-1H-imidazole (PubChem CID 25264962) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[1-[3-(difluoromethyl)-2-methylphenoxy]butyl]-1H-imidazole.

Molecular Properties

Compound Name2-[1-[3-(difluoromethyl)-2-methylphenoxy]butyl]-1H-imidazole
PubChem CID25264962
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[1-[3-(difluoromethyl)-2-methylphenoxy]butyl]-1H-imidazole
SMILESCCCC(Oc1cccc(C(F)F)c1C)c1ncc[nH]1
InChIInChI=1S/C15H18F2N2O/c1-3-5-13(15-18-8-9-19-15)20-12-7-4-6-11(10(12)2)14(16)17/h4,6-9,13-14H,3,5H2,1-2H3,(H,18,19)
InChIKeyBSHJRPRKDXETOJ-UHFFFAOYSA-N
XLogP4.58
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(difluoromethyl)-2-methylphenoxy]butyl]-1H-imidazole?
The IUPAC name of 2-[1-[3-(difluoromethyl)-2-methylphenoxy]butyl]-1H-imidazole (CID 25264962) is 2-[1-[3-(difluoromethyl)-2-methylphenoxy]butyl]-1H-imidazole.
What is the SMILES notation for 2-[1-[3-(difluoromethyl)-2-methylphenoxy]butyl]-1H-imidazole?
The canonical SMILES for 2-[1-[3-(difluoromethyl)-2-methylphenoxy]butyl]-1H-imidazole is CCCC(Oc1cccc(C(F)F)c1C)c1ncc[nH]1.
What is the InChIKey of 2-[1-[3-(difluoromethyl)-2-methylphenoxy]butyl]-1H-imidazole?
The InChIKey is BSHJRPRKDXETOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O/c1-3-5-13(15-18-8-9-19-15)20-12-7-4-6-11(10(12)2)14(16)17/h4,6-9,13-14H,3,5H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[3-(difluoromethyl)-2-methylphenoxy]butyl]-1H-imidazole?
2-[1-[3-(difluoromethyl)-2-methylphenoxy]butyl]-1H-imidazole has a molecular weight of 280.32 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(difluoromethyl)-2-methylphenoxy]butyl]-1H-imidazole is sourced from PubChem (CID 25264962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).