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

C12H11BrCl2N2O3 — CID 22995449

IUPAC2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)-5-methyloxolane-3,4-diol
SMILESCC1OC(n2c(Br)nc3cc(Cl)c(Cl)cc32)C(O)C1O
InChIInChI=1S/C12H11BrCl2N2O3/c1-4-9(18)10(19)11(20-4)17-8-3-6(15)5(14)2-7(8)16-12(17)13/h2-4,9-11,18-19H,1H3
InChIKeyYIAOPCDGOMEIQS-UHFFFAOYSA-N
MW382.04 g/mol
LogP2.74
Rot. Bonds1

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

2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)-5-methyloxolane-3,4-diol (PubChem CID 22995449) has the molecular formula C12H11BrCl2N2O3 and a molecular weight of 382.04 g/mol. Its IUPAC name is 2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)-5-methyloxolane-3,4-diol
PubChem CID22995449
Molecular FormulaC12H11BrCl2N2O3
Molecular Weight382.04 g/mol
Exact Mass379.93
IUPAC Name2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)-5-methyloxolane-3,4-diol
SMILESCC1OC(n2c(Br)nc3cc(Cl)c(Cl)cc32)C(O)C1O
InChIInChI=1S/C12H11BrCl2N2O3/c1-4-9(18)10(19)11(20-4)17-8-3-6(15)5(14)2-7(8)16-12(17)13/h2-4,9-11,18-19H,1H3
InChIKeyYIAOPCDGOMEIQS-UHFFFAOYSA-N
XLogP2.74
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.04
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)-5-methyloxolane-3,4-diol with MolForge

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

Launch Full Analysis

Related Compounds

(2R,3R,4S,5R)-2-[6-chloro-5-fluoro-2-(propan-2-ylamino)benzimidazol-1-yl]-5-methyloxolane-3,4-diol
CID 57077923
[(2R,3S,4R,5R)-5-(2-bromo-5,6-dichlorobenzimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate
CID 11467618
(2R,3R,4R,5R)-2-(2-bromo-5-chloro-6-methylbenzimidazol-1-yl)oxane-3,4,5-triol
CID 54429635
(2R,3R,4S,5R)-5-[5,6-dichloro-2-(propan-2-ylamino)benzimidazol-1-yl]-4-fluoro-2-methyloxolan-3-ol
CID 70179492
(2S,3S,4R,5R)-2-(bromomethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol
CID 516055
[(2R,3R,4R,5R)-5-(2-bromo-5,6-dichlorobenzimidazol-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl acetate
CID 10551166
trans-(1R,2R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)cyclohexan-1-ol
CID 23383155
(2S,3S,4R)-2-(chloromethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol
CID 46876948
[(2R,3S,4R,5R)-5-(2-bromo-5,6-dichlorobenzimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-pyrrolidine-2-carboxylate
CID 11456255
(2R,3R,4S,5R)-2-(2-bromo-6,7-dichloroimidazo[4,5-b]quinolin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 100982607
(2R,3R,4S,5S)-2-(chloromethyl)-5-[5,6-dichloro-2-(propan-2-ylamino)benzimidazol-1-yl]oxolane-3,4-diol
CID 70022413
(2S,3S,4S,5R)-2-[5,6-dichloro-2-(propan-2-ylamino)benzimidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 126539965

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)-5-methyloxolane-3,4-diol?
The IUPAC name of 2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)-5-methyloxolane-3,4-diol (CID 22995449) is 2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)-5-methyloxolane-3,4-diol.
What is the SMILES notation for 2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)-5-methyloxolane-3,4-diol?
The canonical SMILES for 2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)-5-methyloxolane-3,4-diol is CC1OC(n2c(Br)nc3cc(Cl)c(Cl)cc32)C(O)C1O.
What is the InChIKey of 2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)-5-methyloxolane-3,4-diol?
The InChIKey is YIAOPCDGOMEIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrCl2N2O3/c1-4-9(18)10(19)11(20-4)17-8-3-6(15)5(14)2-7(8)16-12(17)13/h2-4,9-11,18-19H,1H3.
What are the key properties of 2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)-5-methyloxolane-3,4-diol?
2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)-5-methyloxolane-3,4-diol has a molecular weight of 382.04 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)-5-methyloxolane-3,4-diol is sourced from PubChem (CID 22995449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).