2-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazole

C15H19F3N2 — CID 46310550

IUPAC2-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazole
SMILESCC(C)n1c(C(C)(C)C)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H19F3N2/c1-9(2)20-12-7-6-10(15(16,17)18)8-11(12)19-13(20)14(3,4)5/h6-9H,1-5H3
InChIKeyCATAPNMWQPHTQM-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.93
Rot. Bonds1

About 2-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazole

2-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazole (PubChem CID 46310550) has the molecular formula C15H19F3N2 and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazole
PubChem CID46310550
Molecular FormulaC15H19F3N2
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name2-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazole
SMILESCC(C)n1c(C(C)(C)C)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H19F3N2/c1-9(2)20-12-7-6-10(15(16,17)18)8-11(12)19-13(20)14(3,4)5/h6-9H,1-5H3
InChIKeyCATAPNMWQPHTQM-UHFFFAOYSA-N
XLogP4.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazole (CID 46310550) is 2-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazole is CC(C)n1c(C(C)(C)C)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazole?
The InChIKey is CATAPNMWQPHTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2/c1-9(2)20-12-7-6-10(15(16,17)18)8-11(12)19-13(20)14(3,4)5/h6-9H,1-5H3.
What are the key properties of 2-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazole?
2-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazole has a molecular weight of 284.33 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 46310550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).