2-methyl-1-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydrobenzimidazole

C11H15F3N2O — CID 116626717

IUPAC2-methyl-1-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1nc2c(n1CCOC(F)(F)F)CCCC2
InChIInChI=1S/C11H15F3N2O/c1-8-15-9-4-2-3-5-10(9)16(8)6-7-17-11(12,13)14/h2-7H2,1H3
InChIKeyBBYNOMWYUQELPI-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.61
Rot. Bonds3

About 2-methyl-1-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydrobenzimidazole

2-methyl-1-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 116626717) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-methyl-1-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name2-methyl-1-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydrobenzimidazole
PubChem CID116626717
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name2-methyl-1-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1nc2c(n1CCOC(F)(F)F)CCCC2
InChIInChI=1S/C11H15F3N2O/c1-8-15-9-4-2-3-5-10(9)16(8)6-7-17-11(12,13)14/h2-7H2,1H3
InChIKeyBBYNOMWYUQELPI-UHFFFAOYSA-N
XLogP2.61
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 2-methyl-1-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydrobenzimidazole (CID 116626717) is 2-methyl-1-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 2-methyl-1-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 2-methyl-1-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydrobenzimidazole is Cc1nc2c(n1CCOC(F)(F)F)CCCC2.
What is the InChIKey of 2-methyl-1-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is BBYNOMWYUQELPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-8-15-9-4-2-3-5-10(9)16(8)6-7-17-11(12,13)14/h2-7H2,1H3.
What are the key properties of 2-methyl-1-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydrobenzimidazole?
2-methyl-1-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 248.25 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 116626717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).