5-bromo-6-(1-bromo-2-cyclobutylethyl)-1,3-dihydrobenzimidazol-2-one

C13H14Br2N2O — CID 103165874

IUPAC5-bromo-6-(1-bromo-2-cyclobutylethyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Br)c(C(Br)CC3CCC3)cc2[nH]1
InChIInChI=1S/C13H14Br2N2O/c14-9(4-7-2-1-3-7)8-5-11-12(6-10(8)15)17-13(18)16-11/h5-7,9H,1-4H2,(H2,16,17,18)
InChIKeyJABTXQCGXIXDCN-UHFFFAOYSA-N
MW374.08 g/mol
LogP4.24
Rot. Bonds3

About 5-bromo-6-(1-bromo-2-cyclobutylethyl)-1,3-dihydrobenzimidazol-2-one

5-bromo-6-(1-bromo-2-cyclobutylethyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 103165874) has the molecular formula C13H14Br2N2O and a molecular weight of 374.08 g/mol. Its IUPAC name is 5-bromo-6-(1-bromo-2-cyclobutylethyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-(1-bromo-2-cyclobutylethyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID103165874
Molecular FormulaC13H14Br2N2O
Molecular Weight374.08 g/mol
Exact Mass371.95
IUPAC Name5-bromo-6-(1-bromo-2-cyclobutylethyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Br)c(C(Br)CC3CCC3)cc2[nH]1
InChIInChI=1S/C13H14Br2N2O/c14-9(4-7-2-1-3-7)8-5-11-12(6-10(8)15)17-13(18)16-11/h5-7,9H,1-4H2,(H2,16,17,18)
InChIKeyJABTXQCGXIXDCN-UHFFFAOYSA-N
XLogP4.24
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.08
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(1-bromo-2-cyclobutylethyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-(1-bromo-2-cyclobutylethyl)-1,3-dihydrobenzimidazol-2-one (CID 103165874) is 5-bromo-6-(1-bromo-2-cyclobutylethyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-(1-bromo-2-cyclobutylethyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-(1-bromo-2-cyclobutylethyl)-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cc(Br)c(C(Br)CC3CCC3)cc2[nH]1.
What is the InChIKey of 5-bromo-6-(1-bromo-2-cyclobutylethyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is JABTXQCGXIXDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2O/c14-9(4-7-2-1-3-7)8-5-11-12(6-10(8)15)17-13(18)16-11/h5-7,9H,1-4H2,(H2,16,17,18).
What are the key properties of 5-bromo-6-(1-bromo-2-cyclobutylethyl)-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-(1-bromo-2-cyclobutylethyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 374.08 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(1-bromo-2-cyclobutylethyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 103165874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).