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

C12H13Cl2N3O4 — CID 46874934

IUPAC(3R,4S,5R)-2-(2-amino-5,6-dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1nc2cc(Cl)c(Cl)cc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H13Cl2N3O4/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,(H2,15,16)/t8-,9-,10-,11?/m1/s1
InChIKeyFDZGLVHHSVMLQM-QHPFDFDXSA-N
MW334.16 g/mol
LogP0.54
Rot. Bonds2

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

(3R,4S,5R)-2-(2-amino-5,6-dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 46874934) has the molecular formula C12H13Cl2N3O4 and a molecular weight of 334.16 g/mol. Its IUPAC name is (3R,4S,5R)-2-(2-amino-5,6-dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(3R,4S,5R)-2-(2-amino-5,6-dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID46874934
Molecular FormulaC12H13Cl2N3O4
Molecular Weight334.16 g/mol
Exact Mass333.03
IUPAC Name(3R,4S,5R)-2-(2-amino-5,6-dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1nc2cc(Cl)c(Cl)cc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H13Cl2N3O4/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,(H2,15,16)/t8-,9-,10-,11?/m1/s1
InChIKeyFDZGLVHHSVMLQM-QHPFDFDXSA-N
XLogP0.54
TPSA113.76 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-2-(2-amino-5,6-dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (3R,4S,5R)-2-(2-amino-5,6-dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 46874934) is (3R,4S,5R)-2-(2-amino-5,6-dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (3R,4S,5R)-2-(2-amino-5,6-dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (3R,4S,5R)-2-(2-amino-5,6-dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol is Nc1nc2cc(Cl)c(Cl)cc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,4S,5R)-2-(2-amino-5,6-dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is FDZGLVHHSVMLQM-QHPFDFDXSA-N. The full InChI is InChI=1S/C12H13Cl2N3O4/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,(H2,15,16)/t8-,9-,10-,11?/m1/s1.
What are the key properties of (3R,4S,5R)-2-(2-amino-5,6-dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
(3R,4S,5R)-2-(2-amino-5,6-dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 334.16 g/mol, XLogP of 0.54, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-2-(2-amino-5,6-dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 46874934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).