6-bromo-1-(ethoxymethyl)-2,5-bis(trifluoromethyl)benzimidazole

C12H9BrF6N2O — CID 86176575

IUPAC6-bromo-1-(ethoxymethyl)-2,5-bis(trifluoromethyl)benzimidazole
SMILESCCOCn1c(C(F)(F)F)nc2cc(C(F)(F)F)c(Br)cc21
InChIInChI=1S/C12H9BrF6N2O/c1-2-22-5-21-9-4-7(13)6(11(14,15)16)3-8(9)20-10(21)12(17,18)19/h3-4H,2,5H2,1H3
InChIKeyFBEBXLZUYJYXHQ-UHFFFAOYSA-N
MW391.11 g/mol
LogP4.83
Rot. Bonds3

About 6-bromo-1-(ethoxymethyl)-2,5-bis(trifluoromethyl)benzimidazole

6-bromo-1-(ethoxymethyl)-2,5-bis(trifluoromethyl)benzimidazole (PubChem CID 86176575) has the molecular formula C12H9BrF6N2O and a molecular weight of 391.11 g/mol. Its IUPAC name is 6-bromo-1-(ethoxymethyl)-2,5-bis(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name6-bromo-1-(ethoxymethyl)-2,5-bis(trifluoromethyl)benzimidazole
PubChem CID86176575
Molecular FormulaC12H9BrF6N2O
Molecular Weight391.11 g/mol
Exact Mass389.98
IUPAC Name6-bromo-1-(ethoxymethyl)-2,5-bis(trifluoromethyl)benzimidazole
SMILESCCOCn1c(C(F)(F)F)nc2cc(C(F)(F)F)c(Br)cc21
InChIInChI=1S/C12H9BrF6N2O/c1-2-22-5-21-9-4-7(13)6(11(14,15)16)3-8(9)20-10(21)12(17,18)19/h3-4H,2,5H2,1H3
InChIKeyFBEBXLZUYJYXHQ-UHFFFAOYSA-N
XLogP4.83
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.11
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(ethoxymethyl)-2,5-bis(trifluoromethyl)benzimidazole?
The IUPAC name of 6-bromo-1-(ethoxymethyl)-2,5-bis(trifluoromethyl)benzimidazole (CID 86176575) is 6-bromo-1-(ethoxymethyl)-2,5-bis(trifluoromethyl)benzimidazole.
What is the SMILES notation for 6-bromo-1-(ethoxymethyl)-2,5-bis(trifluoromethyl)benzimidazole?
The canonical SMILES for 6-bromo-1-(ethoxymethyl)-2,5-bis(trifluoromethyl)benzimidazole is CCOCn1c(C(F)(F)F)nc2cc(C(F)(F)F)c(Br)cc21.
What is the InChIKey of 6-bromo-1-(ethoxymethyl)-2,5-bis(trifluoromethyl)benzimidazole?
The InChIKey is FBEBXLZUYJYXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF6N2O/c1-2-22-5-21-9-4-7(13)6(11(14,15)16)3-8(9)20-10(21)12(17,18)19/h3-4H,2,5H2,1H3.
What are the key properties of 6-bromo-1-(ethoxymethyl)-2,5-bis(trifluoromethyl)benzimidazole?
6-bromo-1-(ethoxymethyl)-2,5-bis(trifluoromethyl)benzimidazole has a molecular weight of 391.11 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(ethoxymethyl)-2,5-bis(trifluoromethyl)benzimidazole is sourced from PubChem (CID 86176575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).