1-[2-bromo-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzimidazole

C15H7BrF6N2 — CID 44604521

IUPAC1-[2-bromo-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1ccc(Br)c(-n2cnc3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C15H7BrF6N2/c16-10-3-1-9(15(20,21)22)6-13(10)24-7-23-11-5-8(14(17,18)19)2-4-12(11)24/h1-7H
InChIKeyOJBOXHADUWQVOY-UHFFFAOYSA-N
MW409.13 g/mol
LogP5.83
Rot. Bonds1

About 1-[2-bromo-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzimidazole

1-[2-bromo-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzimidazole (PubChem CID 44604521) has the molecular formula C15H7BrF6N2 and a molecular weight of 409.13 g/mol. Its IUPAC name is 1-[2-bromo-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-[2-bromo-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzimidazole
PubChem CID44604521
Molecular FormulaC15H7BrF6N2
Molecular Weight409.13 g/mol
Exact Mass407.97
IUPAC Name1-[2-bromo-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1ccc(Br)c(-n2cnc3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C15H7BrF6N2/c16-10-3-1-9(15(20,21)22)6-13(10)24-7-23-11-5-8(14(17,18)19)2-4-12(11)24/h1-7H
InChIKeyOJBOXHADUWQVOY-UHFFFAOYSA-N
XLogP5.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.13
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-[2-bromo-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzimidazole (CID 44604521) is 1-[2-bromo-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-[2-bromo-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-[2-bromo-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzimidazole is FC(F)(F)c1ccc(Br)c(-n2cnc3cc(C(F)(F)F)ccc32)c1.
What is the InChIKey of 1-[2-bromo-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzimidazole?
The InChIKey is OJBOXHADUWQVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrF6N2/c16-10-3-1-9(15(20,21)22)6-13(10)24-7-23-11-5-8(14(17,18)19)2-4-12(11)24/h1-7H.
What are the key properties of 1-[2-bromo-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzimidazole?
1-[2-bromo-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzimidazole has a molecular weight of 409.13 g/mol, XLogP of 5.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 44604521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).