5-bromo-6-[bromo-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one

C13H10Br2N2O2 — CID 55068323

IUPAC5-bromo-6-[bromo-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1occc1C(Br)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C13H10Br2N2O2/c1-6-7(2-3-19-6)12(15)8-4-10-11(5-9(8)14)17-13(18)16-10/h2-5,12H,1H3,(H2,16,17,18)
InChIKeyOUBKZHZGOYRCJG-UHFFFAOYSA-N
MW386.04 g/mol
LogP4.00
Rot. Bonds2

About 5-bromo-6-[bromo-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one

5-bromo-6-[bromo-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 55068323) has the molecular formula C13H10Br2N2O2 and a molecular weight of 386.04 g/mol. Its IUPAC name is 5-bromo-6-[bromo-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[bromo-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID55068323
Molecular FormulaC13H10Br2N2O2
Molecular Weight386.04 g/mol
Exact Mass383.91
IUPAC Name5-bromo-6-[bromo-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1occc1C(Br)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C13H10Br2N2O2/c1-6-7(2-3-19-6)12(15)8-4-10-11(5-9(8)14)17-13(18)16-10/h2-5,12H,1H3,(H2,16,17,18)
InChIKeyOUBKZHZGOYRCJG-UHFFFAOYSA-N
XLogP4.00
TPSA61.79 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.04
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-6-[bromo-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[bromo-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[bromo-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 55068323) is 5-bromo-6-[bromo-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[bromo-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[bromo-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one is Cc1occc1C(Br)c1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 5-bromo-6-[bromo-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is OUBKZHZGOYRCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O2/c1-6-7(2-3-19-6)12(15)8-4-10-11(5-9(8)14)17-13(18)16-10/h2-5,12H,1H3,(H2,16,17,18).
What are the key properties of 5-bromo-6-[bromo-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-[bromo-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 386.04 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[bromo-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 55068323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).