2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-ol

C20H12F4N2O — CID 22482479

IUPAC2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-ol
SMILESOc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F
InChIInChI=1S/C20H12F4N2O/c21-12-4-1-5-13(22)11(12)10-26-16-8-3-9-17(27)19(16)25-20(26)18-14(23)6-2-7-15(18)24/h1-9,27H,10H2
InChIKeyDERBTHHKXLGQCV-UHFFFAOYSA-N
MW372.32 g/mol
LogP5.01
Rot. Bonds3

About 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-ol

2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-ol (PubChem CID 22482479) has the molecular formula C20H12F4N2O and a molecular weight of 372.32 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-ol.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-ol
PubChem CID22482479
Molecular FormulaC20H12F4N2O
Molecular Weight372.32 g/mol
Exact Mass372.09
IUPAC Name2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-ol
SMILESOc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F
InChIInChI=1S/C20H12F4N2O/c21-12-4-1-5-13(22)11(12)10-26-16-8-3-9-17(27)19(16)25-20(26)18-14(23)6-2-7-15(18)24/h1-9,27H,10H2
InChIKeyDERBTHHKXLGQCV-UHFFFAOYSA-N
XLogP5.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.32
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-ol?
The IUPAC name of 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-ol (CID 22482479) is 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-ol.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-ol?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-ol is Oc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-ol?
The InChIKey is DERBTHHKXLGQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4N2O/c21-12-4-1-5-13(22)11(12)10-26-16-8-3-9-17(27)19(16)25-20(26)18-14(23)6-2-7-15(18)24/h1-9,27H,10H2.
What are the key properties of 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-ol?
2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-ol has a molecular weight of 372.32 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-ol is sourced from PubChem (CID 22482479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).