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

C11H11Cl2N3O3 — CID 10470270

IUPAC(2S,3R,4R)-2-(2-amino-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol
SMILESNc1nc2cc(Cl)c(Cl)cc2n1[C@H]1OC[C@@H](O)[C@H]1O
InChIInChI=1S/C11H11Cl2N3O3/c12-4-1-6-7(2-5(4)13)16(11(14)15-6)10-9(18)8(17)3-19-10/h1-2,8-10,17-18H,3H2,(H2,14,15)/t8-,9-,10+/m1/s1
InChIKeyGGRBGNITEIFWLL-BBBLOLIVSA-N
MW304.13 g/mol
LogP1.18
Rot. Bonds1

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

(2S,3R,4R)-2-(2-amino-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol (PubChem CID 10470270) has the molecular formula C11H11Cl2N3O3 and a molecular weight of 304.13 g/mol. Its IUPAC name is (2S,3R,4R)-2-(2-amino-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R)-2-(2-amino-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol
PubChem CID10470270
Molecular FormulaC11H11Cl2N3O3
Molecular Weight304.13 g/mol
Exact Mass303.02
IUPAC Name(2S,3R,4R)-2-(2-amino-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol
SMILESNc1nc2cc(Cl)c(Cl)cc2n1[C@H]1OC[C@@H](O)[C@H]1O
InChIInChI=1S/C11H11Cl2N3O3/c12-4-1-6-7(2-5(4)13)16(11(14)15-6)10-9(18)8(17)3-19-10/h1-2,8-10,17-18H,3H2,(H2,14,15)/t8-,9-,10+/m1/s1
InChIKeyGGRBGNITEIFWLL-BBBLOLIVSA-N
XLogP1.18
TPSA93.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S)-2-[5,6-dichloro-2-(propan-2-ylamino)benzimidazol-1-yl]oxolane-3,4-diol
CID 121432233
(2R,3R,4R,5R)-2-(2-bromo-5-chloro-6-methylbenzimidazol-1-yl)oxane-3,4,5-triol
CID 54429635
5,6-dichloro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-2-amine
CID 80720938
(2S,3S,4R)-2-(chloromethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol
CID 46876948
5-chloro-6-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
CID 82729176
2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)-5-methyloxolane-3,4-diol
CID 22995449
(2S,3S,4R,5R)-2-(bromomethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol
CID 516055
trans-(1R,2R)-2-(2-bromo-5,6-dichlorobenzimidazol-1-yl)cyclohexan-1-ol
CID 23383155
5-fluoro-1-(oxetan-3-yl)benzimidazol-2-amine
CID 170911669
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077934
(2R,3R,4S,5R)-5-[5,6-dichloro-2-(propan-2-ylamino)benzimidazol-1-yl]-4-fluoro-2-methyloxolan-3-ol
CID 70179492
5-chloro-6-fluoro-1-(2-methylcyclohexyl)benzimidazol-2-amine
CID 66079071

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-2-(2-amino-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol?
The IUPAC name of (2S,3R,4R)-2-(2-amino-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol (CID 10470270) is (2S,3R,4R)-2-(2-amino-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4R)-2-(2-amino-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol?
The canonical SMILES for (2S,3R,4R)-2-(2-amino-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol is Nc1nc2cc(Cl)c(Cl)cc2n1[C@H]1OC[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R)-2-(2-amino-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol?
The InChIKey is GGRBGNITEIFWLL-BBBLOLIVSA-N. The full InChI is InChI=1S/C11H11Cl2N3O3/c12-4-1-6-7(2-5(4)13)16(11(14)15-6)10-9(18)8(17)3-19-10/h1-2,8-10,17-18H,3H2,(H2,14,15)/t8-,9-,10+/m1/s1.
What are the key properties of (2S,3R,4R)-2-(2-amino-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol?
(2S,3R,4R)-2-(2-amino-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol has a molecular weight of 304.13 g/mol, XLogP of 1.18, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-2-(2-amino-5,6-dichlorobenzimidazol-1-yl)oxolane-3,4-diol is sourced from PubChem (CID 10470270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).