6-tert-butyl-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole

C23H21FN2 — CID 52940686

IUPAC6-tert-butyl-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole
SMILESCC(C)(C)c1ccc2nc(-c3ccc(-c4ccccc4F)cc3)[nH]c2c1
InChIInChI=1S/C23H21FN2/c1-23(2,3)17-12-13-20-21(14-17)26-22(25-20)16-10-8-15(9-11-16)18-6-4-5-7-19(18)24/h4-14H,1-3H3,(H,25,26)
InChIKeyCTZLXTQEVUMJMU-UHFFFAOYSA-N
MW344.43 g/mol
LogP6.33
Rot. Bonds2

About 6-tert-butyl-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole

6-tert-butyl-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole (PubChem CID 52940686) has the molecular formula C23H21FN2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 6-tert-butyl-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-tert-butyl-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole
PubChem CID52940686
Molecular FormulaC23H21FN2
Molecular Weight344.43 g/mol
Exact Mass344.17
IUPAC Name6-tert-butyl-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole
SMILESCC(C)(C)c1ccc2nc(-c3ccc(-c4ccccc4F)cc3)[nH]c2c1
InChIInChI=1S/C23H21FN2/c1-23(2,3)17-12-13-20-21(14-17)26-22(25-20)16-10-8-15(9-11-16)18-6-4-5-7-19(18)24/h4-14H,1-3H3,(H,25,26)
InChIKeyCTZLXTQEVUMJMU-UHFFFAOYSA-N
XLogP6.33
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.43
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole?
The IUPAC name of 6-tert-butyl-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole (CID 52940686) is 6-tert-butyl-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 6-tert-butyl-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole?
The canonical SMILES for 6-tert-butyl-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole is CC(C)(C)c1ccc2nc(-c3ccc(-c4ccccc4F)cc3)[nH]c2c1.
What is the InChIKey of 6-tert-butyl-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole?
The InChIKey is CTZLXTQEVUMJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2/c1-23(2,3)17-12-13-20-21(14-17)26-22(25-20)16-10-8-15(9-11-16)18-6-4-5-7-19(18)24/h4-14H,1-3H3,(H,25,26).
What are the key properties of 6-tert-butyl-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole?
6-tert-butyl-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole has a molecular weight of 344.43 g/mol, XLogP of 6.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 52940686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).