2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylic acid

C21H12F4N2O2 — CID 70101632

IUPAC2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylic acid
SMILESO=C(O)C1(c2c(F)cccc2F)N=c2cccc(Cc3c(F)cccc3F)c2=N1
InChIInChI=1S/C21H12F4N2O2/c22-13-5-2-6-14(23)12(13)10-11-4-1-9-17-19(11)27-21(26-17,20(28)29)18-15(24)7-3-8-16(18)25/h1-9H,10H2,(H,28,29)
InChIKeyTYSWDFKNCQGVIG-UHFFFAOYSA-N
MW400.33 g/mol
LogP3.02
Rot. Bonds4

About 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylic acid

2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylic acid (PubChem CID 70101632) has the molecular formula C21H12F4N2O2 and a molecular weight of 400.33 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylic acid
PubChem CID70101632
Molecular FormulaC21H12F4N2O2
Molecular Weight400.33 g/mol
Exact Mass400.08
IUPAC Name2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylic acid
SMILESO=C(O)C1(c2c(F)cccc2F)N=c2cccc(Cc3c(F)cccc3F)c2=N1
InChIInChI=1S/C21H12F4N2O2/c22-13-5-2-6-14(23)12(13)10-11-4-1-9-17-19(11)27-21(26-17,20(28)29)18-15(24)7-3-8-16(18)25/h1-9H,10H2,(H,28,29)
InChIKeyTYSWDFKNCQGVIG-UHFFFAOYSA-N
XLogP3.02
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.33
LogP ≤ 53.02
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)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylic acid?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylic acid (CID 70101632) is 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylic acid.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylic acid?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylic acid is O=C(O)C1(c2c(F)cccc2F)N=c2cccc(Cc3c(F)cccc3F)c2=N1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylic acid?
The InChIKey is TYSWDFKNCQGVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F4N2O2/c22-13-5-2-6-14(23)12(13)10-11-4-1-9-17-19(11)27-21(26-17,20(28)29)18-15(24)7-3-8-16(18)25/h1-9H,10H2,(H,28,29).
What are the key properties of 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylic acid?
2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylic acid has a molecular weight of 400.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylic acid is sourced from PubChem (CID 70101632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).