1-tert-butyl-2-(2-fluoropropan-2-yl)benzimidazole

C14H19FN2 — CID 20728113

IUPAC1-tert-butyl-2-(2-fluoropropan-2-yl)benzimidazole
SMILESCC(C)(F)c1nc2ccccc2n1C(C)(C)C
InChIInChI=1S/C14H19FN2/c1-13(2,3)17-11-9-7-6-8-10(11)16-12(17)14(4,5)15/h6-9H,1-5H3
InChIKeyZKROHRZSKPOSJF-UHFFFAOYSA-N
MW234.32 g/mol
LogP4.00
Rot. Bonds1

About 1-tert-butyl-2-(2-fluoropropan-2-yl)benzimidazole

1-tert-butyl-2-(2-fluoropropan-2-yl)benzimidazole (PubChem CID 20728113) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-tert-butyl-2-(2-fluoropropan-2-yl)benzimidazole.

Molecular Properties

Compound Name1-tert-butyl-2-(2-fluoropropan-2-yl)benzimidazole
PubChem CID20728113
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name1-tert-butyl-2-(2-fluoropropan-2-yl)benzimidazole
SMILESCC(C)(F)c1nc2ccccc2n1C(C)(C)C
InChIInChI=1S/C14H19FN2/c1-13(2,3)17-11-9-7-6-8-10(11)16-12(17)14(4,5)15/h6-9H,1-5H3
InChIKeyZKROHRZSKPOSJF-UHFFFAOYSA-N
XLogP4.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2-fluoropropan-2-yl)benzimidazole?
The IUPAC name of 1-tert-butyl-2-(2-fluoropropan-2-yl)benzimidazole (CID 20728113) is 1-tert-butyl-2-(2-fluoropropan-2-yl)benzimidazole.
What is the SMILES notation for 1-tert-butyl-2-(2-fluoropropan-2-yl)benzimidazole?
The canonical SMILES for 1-tert-butyl-2-(2-fluoropropan-2-yl)benzimidazole is CC(C)(F)c1nc2ccccc2n1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-(2-fluoropropan-2-yl)benzimidazole?
The InChIKey is ZKROHRZSKPOSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c1-13(2,3)17-11-9-7-6-8-10(11)16-12(17)14(4,5)15/h6-9H,1-5H3.
What are the key properties of 1-tert-butyl-2-(2-fluoropropan-2-yl)benzimidazole?
1-tert-butyl-2-(2-fluoropropan-2-yl)benzimidazole has a molecular weight of 234.32 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2-fluoropropan-2-yl)benzimidazole is sourced from PubChem (CID 20728113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).