2-(4-tert-butylphenyl)-4,6-difluoro-1H-benzimidazole

C17H16F2N2 — CID 81455041

IUPAC2-(4-tert-butylphenyl)-4,6-difluoro-1H-benzimidazole
SMILESCC(C)(C)c1ccc(-c2nc3c(F)cc(F)cc3[nH]2)cc1
InChIInChI=1S/C17H16F2N2/c1-17(2,3)11-6-4-10(5-7-11)16-20-14-9-12(18)8-13(19)15(14)21-16/h4-9H,1-3H3,(H,20,21)
InChIKeyPWQOFIYBYDFBHC-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.81
Rot. Bonds1

About 2-(4-tert-butylphenyl)-4,6-difluoro-1H-benzimidazole

2-(4-tert-butylphenyl)-4,6-difluoro-1H-benzimidazole (PubChem CID 81455041) has the molecular formula C17H16F2N2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-4,6-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-4,6-difluoro-1H-benzimidazole
PubChem CID81455041
Molecular FormulaC17H16F2N2
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(4-tert-butylphenyl)-4,6-difluoro-1H-benzimidazole
SMILESCC(C)(C)c1ccc(-c2nc3c(F)cc(F)cc3[nH]2)cc1
InChIInChI=1S/C17H16F2N2/c1-17(2,3)11-6-4-10(5-7-11)16-20-14-9-12(18)8-13(19)15(14)21-16/h4-9H,1-3H3,(H,20,21)
InChIKeyPWQOFIYBYDFBHC-UHFFFAOYSA-N
XLogP4.81
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-4,6-difluoro-1H-benzimidazole?
The IUPAC name of 2-(4-tert-butylphenyl)-4,6-difluoro-1H-benzimidazole (CID 81455041) is 2-(4-tert-butylphenyl)-4,6-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-4,6-difluoro-1H-benzimidazole?
The canonical SMILES for 2-(4-tert-butylphenyl)-4,6-difluoro-1H-benzimidazole is CC(C)(C)c1ccc(-c2nc3c(F)cc(F)cc3[nH]2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-4,6-difluoro-1H-benzimidazole?
The InChIKey is PWQOFIYBYDFBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2/c1-17(2,3)11-6-4-10(5-7-11)16-20-14-9-12(18)8-13(19)15(14)21-16/h4-9H,1-3H3,(H,20,21).
What are the key properties of 2-(4-tert-butylphenyl)-4,6-difluoro-1H-benzimidazole?
2-(4-tert-butylphenyl)-4,6-difluoro-1H-benzimidazole has a molecular weight of 286.33 g/mol, XLogP of 4.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-4,6-difluoro-1H-benzimidazole is sourced from PubChem (CID 81455041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).