(3R,4R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol

C11H9BrCl2N2O3 — CID 46875495

IUPAC(3R,4R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol
SMILESO[C@@H]1COC(n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@@H]1O
InChIInChI=1S/C11H9BrCl2N2O3/c12-11-15-6-1-4(13)5(14)2-7(6)16(11)10-9(18)8(17)3-19-10/h1-2,8-10,17-18H,3H2/t8-,9-,10?/m1/s1
InChIKeyRKZHZMMVJLXJCY-MGRQHWMJSA-N
MW368.01 g/mol
LogP2.36
Rot. Bonds1

About (3R,4R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol

(3R,4R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol (PubChem CID 46875495) has the molecular formula C11H9BrCl2N2O3 and a molecular weight of 368.01 g/mol. Its IUPAC name is (3R,4R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol
PubChem CID46875495
Molecular FormulaC11H9BrCl2N2O3
Molecular Weight368.01 g/mol
Exact Mass365.92
IUPAC Name(3R,4R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol
SMILESO[C@@H]1COC(n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@@H]1O
InChIInChI=1S/C11H9BrCl2N2O3/c12-11-15-6-1-4(13)5(14)2-7(6)16(11)10-9(18)8(17)3-19-10/h1-2,8-10,17-18H,3H2/t8-,9-,10?/m1/s1
InChIKeyRKZHZMMVJLXJCY-MGRQHWMJSA-N
XLogP2.36
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.01
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol?
The IUPAC name of (3R,4R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol (CID 46875495) is (3R,4R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol.
What is the SMILES notation for (3R,4R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol?
The canonical SMILES for (3R,4R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol is O[C@@H]1COC(n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@@H]1O.
What is the InChIKey of (3R,4R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol?
The InChIKey is RKZHZMMVJLXJCY-MGRQHWMJSA-N. The full InChI is InChI=1S/C11H9BrCl2N2O3/c12-11-15-6-1-4(13)5(14)2-7(6)16(11)10-9(18)8(17)3-19-10/h1-2,8-10,17-18H,3H2/t8-,9-,10?/m1/s1.
What are the key properties of (3R,4R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol?
(3R,4R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol has a molecular weight of 368.01 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol is sourced from PubChem (CID 46875495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).