2-[(2-chlorophenoxy)methyl]-1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazole

C20H14ClF3N2O2 — CID 46310157

IUPAC2-[(2-chlorophenoxy)methyl]-1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1ccc2c(c1)nc(COc1ccccc1Cl)n2Cc1ccco1
InChIInChI=1S/C20H14ClF3N2O2/c21-15-5-1-2-6-18(15)28-12-19-25-16-10-13(20(22,23)24)7-8-17(16)26(19)11-14-4-3-9-27-14/h1-10H,11-12H2
InChIKeyFDTBEMRUUGBXSV-UHFFFAOYSA-N
MW406.79 g/mol
LogP5.93
Rot. Bonds5

About 2-[(2-chlorophenoxy)methyl]-1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazole

2-[(2-chlorophenoxy)methyl]-1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazole (PubChem CID 46310157) has the molecular formula C20H14ClF3N2O2 and a molecular weight of 406.79 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]-1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)methyl]-1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazole
PubChem CID46310157
Molecular FormulaC20H14ClF3N2O2
Molecular Weight406.79 g/mol
Exact Mass406.07
IUPAC Name2-[(2-chlorophenoxy)methyl]-1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1ccc2c(c1)nc(COc1ccccc1Cl)n2Cc1ccco1
InChIInChI=1S/C20H14ClF3N2O2/c21-15-5-1-2-6-18(15)28-12-19-25-16-10-13(20(22,23)24)7-8-17(16)26(19)11-14-4-3-9-27-14/h1-10H,11-12H2
InChIKeyFDTBEMRUUGBXSV-UHFFFAOYSA-N
XLogP5.93
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.79
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]-1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-[(2-chlorophenoxy)methyl]-1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazole (CID 46310157) is 2-[(2-chlorophenoxy)methyl]-1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]-1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-[(2-chlorophenoxy)methyl]-1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazole is FC(F)(F)c1ccc2c(c1)nc(COc1ccccc1Cl)n2Cc1ccco1.
What is the InChIKey of 2-[(2-chlorophenoxy)methyl]-1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazole?
The InChIKey is FDTBEMRUUGBXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N2O2/c21-15-5-1-2-6-18(15)28-12-19-25-16-10-13(20(22,23)24)7-8-17(16)26(19)11-14-4-3-9-27-14/h1-10H,11-12H2.
What are the key properties of 2-[(2-chlorophenoxy)methyl]-1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazole?
2-[(2-chlorophenoxy)methyl]-1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazole has a molecular weight of 406.79 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)methyl]-1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 46310157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).