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

C12H12Cl2N2O4 — CID 11957520

IUPAC(2S,3R,4S,5R)-2-(5,6-dichloro-1H-benzimidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](c2nc3cc(Cl)c(Cl)cc3[nH]2)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H12Cl2N2O4/c13-4-1-6-7(2-5(4)14)16-12(15-6)11-10(19)9(18)8(3-17)20-11/h1-2,8-11,17-19H,3H2,(H,15,16)/t8-,9-,10-,11-/m1/s1
InChIKeyFMYZCZNCRILHGQ-GWOFURMSSA-N
MW319.14 g/mol
LogP1.02
Rot. Bonds2

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

(2S,3R,4S,5R)-2-(5,6-dichloro-1H-benzimidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 11957520) has the molecular formula C12H12Cl2N2O4 and a molecular weight of 319.14 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-(5,6-dichloro-1H-benzimidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-(5,6-dichloro-1H-benzimidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID11957520
Molecular FormulaC12H12Cl2N2O4
Molecular Weight319.14 g/mol
Exact Mass318.02
IUPAC Name(2S,3R,4S,5R)-2-(5,6-dichloro-1H-benzimidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](c2nc3cc(Cl)c(Cl)cc3[nH]2)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H12Cl2N2O4/c13-4-1-6-7(2-5(4)14)16-12(15-6)11-10(19)9(18)8(3-17)20-11/h1-2,8-11,17-19H,3H2,(H,15,16)/t8-,9-,10-,11-/m1/s1
InChIKeyFMYZCZNCRILHGQ-GWOFURMSSA-N
XLogP1.02
TPSA98.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S,3R,4S,5R)-2-(5,6-dichloro-1H-benzimidazol-2-yl)-5-(hydroxymethyl)oxolane-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

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-(5,6-dichloro-1H-benzimidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2S,3R,4S,5R)-2-(5,6-dichloro-1H-benzimidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 11957520) is (2S,3R,4S,5R)-2-(5,6-dichloro-1H-benzimidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4S,5R)-2-(5,6-dichloro-1H-benzimidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2S,3R,4S,5R)-2-(5,6-dichloro-1H-benzimidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol is OC[C@H]1O[C@@H](c2nc3cc(Cl)c(Cl)cc3[nH]2)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-2-(5,6-dichloro-1H-benzimidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is FMYZCZNCRILHGQ-GWOFURMSSA-N. The full InChI is InChI=1S/C12H12Cl2N2O4/c13-4-1-6-7(2-5(4)14)16-12(15-6)11-10(19)9(18)8(3-17)20-11/h1-2,8-11,17-19H,3H2,(H,15,16)/t8-,9-,10-,11-/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-(5,6-dichloro-1H-benzimidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
(2S,3R,4S,5R)-2-(5,6-dichloro-1H-benzimidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 319.14 g/mol, XLogP of 1.02, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-(5,6-dichloro-1H-benzimidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 11957520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).