1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3-methyl-1-benzofuran-2-carboxylate

C20H16F2N2O3 — CID 18274789

IUPAC1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OC(C)c2nc3ccccc3n2C(F)F)oc2ccccc12
InChIInChI=1S/C20H16F2N2O3/c1-11-13-7-3-6-10-16(13)27-17(11)19(25)26-12(2)18-23-14-8-4-5-9-15(14)24(18)20(21)22/h3-10,12,20H,1-2H3
InChIKeyHJNORTVXIPNIIE-UHFFFAOYSA-N
MW370.36 g/mol
LogP5.40
Rot. Bonds4

About 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3-methyl-1-benzofuran-2-carboxylate

1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3-methyl-1-benzofuran-2-carboxylate (PubChem CID 18274789) has the molecular formula C20H16F2N2O3 and a molecular weight of 370.36 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3-methyl-1-benzofuran-2-carboxylate
PubChem CID18274789
Molecular FormulaC20H16F2N2O3
Molecular Weight370.36 g/mol
Exact Mass370.11
IUPAC Name1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OC(C)c2nc3ccccc3n2C(F)F)oc2ccccc12
InChIInChI=1S/C20H16F2N2O3/c1-11-13-7-3-6-10-16(13)27-17(11)19(25)26-12(2)18-23-14-8-4-5-9-15(14)24(18)20(21)22/h3-10,12,20H,1-2H3
InChIKeyHJNORTVXIPNIIE-UHFFFAOYSA-N
XLogP5.40
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.36
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl benzoate
CID 18155834
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 6-methylpyridine-2-carboxylate
CID 134001745
[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl] 3-fluorobenzoate
CID 52548700
[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl] 3,4,5-trimethoxybenzoate
CID 40656243
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-chloroisoquinoline-3-carboxylate
CID 55621925
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 4-(2,2-dimethylpropyl)benzoate
CID 166323021
(1-oxo-1-phenylpropan-2-yl) 3-methyl-1-benzofuran-2-carboxylate
CID 16577444
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-(4-oxoquinazolin-3-yl)acetate
CID 78799129
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-methylcyclopropane-1-carboxylate
CID 134011207
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-(4-methoxyphenyl)sulfanylacetate
CID 55380808

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3-methyl-1-benzofuran-2-carboxylate (CID 18274789) is 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3-methyl-1-benzofuran-2-carboxylate is Cc1c(C(=O)OC(C)c2nc3ccccc3n2C(F)F)oc2ccccc12.
What is the InChIKey of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is HJNORTVXIPNIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O3/c1-11-13-7-3-6-10-16(13)27-17(11)19(25)26-12(2)18-23-14-8-4-5-9-15(14)24(18)20(21)22/h3-10,12,20H,1-2H3.
What are the key properties of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3-methyl-1-benzofuran-2-carboxylate?
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 370.36 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 18274789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).