1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl benzoate

C17H14F2N2O2 — CID 18155834

IUPAC1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl benzoate
SMILESCC(OC(=O)c1ccccc1)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C17H14F2N2O2/c1-11(23-16(22)12-7-3-2-4-8-12)15-20-13-9-5-6-10-14(13)21(15)17(18)19/h2-11,17H,1H3
InChIKeyAQQUSEYVLMTWMN-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.35
Rot. Bonds4

About 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl benzoate

1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl benzoate (PubChem CID 18155834) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl benzoate.

Molecular Properties

Compound Name1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl benzoate
PubChem CID18155834
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC Name1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl benzoate
SMILESCC(OC(=O)c1ccccc1)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C17H14F2N2O2/c1-11(23-16(22)12-7-3-2-4-8-12)15-20-13-9-5-6-10-14(13)21(15)17(18)19/h2-11,17H,1H3
InChIKeyAQQUSEYVLMTWMN-UHFFFAOYSA-N
XLogP4.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3,5-difluorobenzoate
CID 18155838
[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl] 3-fluorobenzoate
CID 52548700
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 4-(2,2-dimethylpropyl)benzoate
CID 166323021
[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl] 3,4,5-trimethoxybenzoate
CID 40656243
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 6-methylpyridine-2-carboxylate
CID 134001745
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-methylindole-3-carboxylate
CID 51110128
[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl] 1-methylindole-3-carboxylate
CID 52532641
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1H-indazole-5-carboxylate
CID 71898644
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-amino-1,3-benzothiazole-6-carboxylate
CID 56808392
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-methylcyclopropane-1-carboxylate
CID 134011207
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3-methyl-1-benzofuran-2-carboxylate
CID 18274789
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-chloroisoquinoline-3-carboxylate
CID 55621925

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl benzoate?
The IUPAC name of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl benzoate (CID 18155834) is 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl benzoate.
What is the SMILES notation for 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl benzoate?
The canonical SMILES for 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl benzoate is CC(OC(=O)c1ccccc1)c1nc2ccccc2n1C(F)F.
What is the InChIKey of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl benzoate?
The InChIKey is AQQUSEYVLMTWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2/c1-11(23-16(22)12-7-3-2-4-8-12)15-20-13-9-5-6-10-14(13)21(15)17(18)19/h2-11,17H,1H3.
What are the key properties of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl benzoate?
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl benzoate has a molecular weight of 316.31 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl benzoate is sourced from PubChem (CID 18155834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).