[1-(difluoromethyl)benzimidazol-2-yl]methyl 2,4-difluorobenzoate

C16H10F4N2O2 — CID 16610103

IUPAC[1-(difluoromethyl)benzimidazol-2-yl]methyl 2,4-difluorobenzoate
SMILESO=C(OCc1nc2ccccc2n1C(F)F)c1ccc(F)cc1F
InChIInChI=1S/C16H10F4N2O2/c17-9-5-6-10(11(18)7-9)15(23)24-8-14-21-12-3-1-2-4-13(12)22(14)16(19)20/h1-7,16H,8H2
InChIKeyBQICEYVNGKTNMF-UHFFFAOYSA-N
MW338.26 g/mol
LogP4.07
Rot. Bonds4

About [1-(difluoromethyl)benzimidazol-2-yl]methyl 2,4-difluorobenzoate

[1-(difluoromethyl)benzimidazol-2-yl]methyl 2,4-difluorobenzoate (PubChem CID 16610103) has the molecular formula C16H10F4N2O2 and a molecular weight of 338.26 g/mol. Its IUPAC name is [1-(difluoromethyl)benzimidazol-2-yl]methyl 2,4-difluorobenzoate.

Molecular Properties

Compound Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 2,4-difluorobenzoate
PubChem CID16610103
Molecular FormulaC16H10F4N2O2
Molecular Weight338.26 g/mol
Exact Mass338.07
IUPAC Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 2,4-difluorobenzoate
SMILESO=C(OCc1nc2ccccc2n1C(F)F)c1ccc(F)cc1F
InChIInChI=1S/C16H10F4N2O2/c17-9-5-6-10(11(18)7-9)15(23)24-8-14-21-12-3-1-2-4-13(12)22(14)16(19)20/h1-7,16H,8H2
InChIKeyBQICEYVNGKTNMF-UHFFFAOYSA-N
XLogP4.07
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 2,4-difluorobenzoate?
The IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 2,4-difluorobenzoate (CID 16610103) is [1-(difluoromethyl)benzimidazol-2-yl]methyl 2,4-difluorobenzoate.
What is the SMILES notation for [1-(difluoromethyl)benzimidazol-2-yl]methyl 2,4-difluorobenzoate?
The canonical SMILES for [1-(difluoromethyl)benzimidazol-2-yl]methyl 2,4-difluorobenzoate is O=C(OCc1nc2ccccc2n1C(F)F)c1ccc(F)cc1F.
What is the InChIKey of [1-(difluoromethyl)benzimidazol-2-yl]methyl 2,4-difluorobenzoate?
The InChIKey is BQICEYVNGKTNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N2O2/c17-9-5-6-10(11(18)7-9)15(23)24-8-14-21-12-3-1-2-4-13(12)22(14)16(19)20/h1-7,16H,8H2.
What are the key properties of [1-(difluoromethyl)benzimidazol-2-yl]methyl 2,4-difluorobenzoate?
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2,4-difluorobenzoate has a molecular weight of 338.26 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)benzimidazol-2-yl]methyl 2,4-difluorobenzoate is sourced from PubChem (CID 16610103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).