[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate

C18H14F4N2O4 — CID 16610074

IUPAC[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate
SMILESCOc1cc(C(=O)OCc2nc3ccccc3n2C(F)F)ccc1OC(F)F
InChIInChI=1S/C18H14F4N2O4/c1-26-14-8-10(6-7-13(14)28-18(21)22)16(25)27-9-15-23-11-4-2-3-5-12(11)24(15)17(19)20/h2-8,17-18H,9H2,1H3
InChIKeyCRFJIJOITVOZMA-UHFFFAOYSA-N
MW398.31 g/mol
LogP4.40
Rot. Bonds7

About [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate

[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate (PubChem CID 16610074) has the molecular formula C18H14F4N2O4 and a molecular weight of 398.31 g/mol. Its IUPAC name is [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate.

Molecular Properties

Compound Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate
PubChem CID16610074
Molecular FormulaC18H14F4N2O4
Molecular Weight398.31 g/mol
Exact Mass398.09
IUPAC Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate
SMILESCOc1cc(C(=O)OCc2nc3ccccc3n2C(F)F)ccc1OC(F)F
InChIInChI=1S/C18H14F4N2O4/c1-26-14-8-10(6-7-13(14)28-18(21)22)16(25)27-9-15-23-11-4-2-3-5-12(11)24(15)17(19)20/h2-8,17-18H,9H2,1H3
InChIKeyCRFJIJOITVOZMA-UHFFFAOYSA-N
XLogP4.40
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.31
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(difluoromethyl)benzimidazol-2-yl]methyl 5-chloro-2-methoxybenzoate
CID 16624269
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-yloxybenzoate
CID 16610071
[1-(difluoromethyl)benzimidazol-2-yl]methyl 3-bromo-4-ethoxy-5-methoxybenzoate
CID 16625175
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate
CID 16624687
[1-(difluoromethyl)benzimidazol-2-yl]methyl 5,6-dichloropyridine-3-carboxylate
CID 16624802
[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-methylpyrazole-4-carboxylate
CID 16625572
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-methylsulfanyl-3-nitrobenzoate
CID 16963011
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-methoxyphenyl)acetate
CID 16624713
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-hydroxy-3-methylbenzoate
CID 16624884
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-[methyl(phenyl)sulfamoyl]benzoate
CID 16624937
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 16624854
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 4840051

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate?
The IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate (CID 16610074) is [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate.
What is the SMILES notation for [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate?
The canonical SMILES for [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate is COc1cc(C(=O)OCc2nc3ccccc3n2C(F)F)ccc1OC(F)F.
What is the InChIKey of [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate?
The InChIKey is CRFJIJOITVOZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O4/c1-26-14-8-10(6-7-13(14)28-18(21)22)16(25)27-9-15-23-11-4-2-3-5-12(11)24(15)17(19)20/h2-8,17-18H,9H2,1H3.
What are the key properties of [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate?
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate has a molecular weight of 398.31 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate is sourced from PubChem (CID 16610074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).