(2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol

C12H11Cl3N2O4 — CID 10641815

IUPAC(2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H11Cl3N2O4/c13-4-1-6-7(2-5(4)14)17(12(15)16-6)11-10(20)9(19)8(3-18)21-11/h1-2,8-11,18-20H,3H2/t8-,9+,10+,11+/m1/s1
InChIKeyBSDCIRGNJKZPFV-RCWTZXSCSA-N
MW353.59 g/mol
LogP1.61
Rot. Bonds2

About (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol

(2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol (PubChem CID 10641815) has the molecular formula C12H11Cl3N2O4 and a molecular weight of 353.59 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol
PubChem CID10641815
Molecular FormulaC12H11Cl3N2O4
Molecular Weight353.59 g/mol
Exact Mass351.98
IUPAC Name(2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H11Cl3N2O4/c13-4-1-6-7(2-5(4)14)17(12(15)16-6)11-10(20)9(19)8(3-18)21-11/h1-2,8-11,18-20H,3H2/t8-,9+,10+,11+/m1/s1
InChIKeyBSDCIRGNJKZPFV-RCWTZXSCSA-N
XLogP1.61
TPSA87.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.59
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol with MolForge

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Related Compounds

Maribavir
CID 471161
5,6-Dichloro-1-(beta-D-ribofuranosyl)benzimidazole
CID 5894
5,6-Dichloro-1-beta-D-ribofuranosylbenzimidazole
CID 3165
1H-Benzimidazole-1-propanol, 5,6-dichloro-2-methyl-
CID 86310
(2R,4R,5R)-2-(5,6-dichloro-1-benzimidazolyl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 6610267
Bdcrb
CID 465094
[(2R,3R,4R,5R)-3,4-diacetoxy-5-(2,5,6-trichlorobenzimidazol-1-yl)tetrahydrofuran-2-yl]methyl acetate
CID 466019
[(2R,3R,4R,5R)-3,4-diacetoxy-5-(2-bromo-5,6-dichloro-benzimidazol-1-yl)tetrahydrofuran-2-yl]methyl acetate
CID 466020
(2S,3S,4R,5R)-2-methyl-5-(2,5,6-trichlorobenzimidazol-1-yl)tetrahydrofuran-3,4-diol
CID 470067
2-Hydroxymethyl-5-(2,5,6-trichloro-benzoimidazol-1-yl)-tetrahydro-furan-3-ol
CID 492194
(2R,3R,4R,5R)-2-(5,6-dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
CID 513122
(2S,3S,4R,5R)-2-(2-bromo-5,6-dichloro-benzimidazol-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
CID 10668527

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol (CID 10641815) is (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol is OC[C@H]1O[C@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol?
The InChIKey is BSDCIRGNJKZPFV-RCWTZXSCSA-N. The full InChI is InChI=1S/C12H11Cl3N2O4/c13-4-1-6-7(2-5(4)14)17(12(15)16-6)11-10(20)9(19)8(3-18)21-11/h1-2,8-11,18-20H,3H2/t8-,9+,10+,11+/m1/s1.
What are the key properties of (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol?
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol has a molecular weight of 353.59 g/mol, XLogP of 1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol is sourced from PubChem (CID 10641815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).