4-bromo-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one

C8H4BrF3N2O — CID 11580021

IUPAC4-bromo-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(C(F)(F)F)cc(Br)c2[nH]1
InChIInChI=1S/C8H4BrF3N2O/c9-4-1-3(8(10,11)12)2-5-6(4)14-7(15)13-5/h1-2H,(H2,13,14,15)
InChIKeyMWJMZNFWRMPROD-UHFFFAOYSA-N
MW281.03 g/mol
LogP2.64
Rot. Bonds

About 4-bromo-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one

4-bromo-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 11580021) has the molecular formula C8H4BrF3N2O and a molecular weight of 281.03 g/mol. Its IUPAC name is 4-bromo-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-bromo-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID11580021
Molecular FormulaC8H4BrF3N2O
Molecular Weight281.03 g/mol
Exact Mass279.95
IUPAC Name4-bromo-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(C(F)(F)F)cc(Br)c2[nH]1
InChIInChI=1S/C8H4BrF3N2O/c9-4-1-3(8(10,11)12)2-5-6(4)14-7(15)13-5/h1-2H,(H2,13,14,15)
InChIKeyMWJMZNFWRMPROD-UHFFFAOYSA-N
XLogP2.64
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.03
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-bromo-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one (CID 11580021) is 4-bromo-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-bromo-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-bromo-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cc(C(F)(F)F)cc(Br)c2[nH]1.
What is the InChIKey of 4-bromo-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is MWJMZNFWRMPROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF3N2O/c9-4-1-3(8(10,11)12)2-5-6(4)14-7(15)13-5/h1-2H,(H2,13,14,15).
What are the key properties of 4-bromo-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one?
4-bromo-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 281.03 g/mol, XLogP of 2.64, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 11580021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).