(1R,2R,3R,4R)-1-(6-fluoro-1H-benzimidazol-2-yl)pentane-1,2,3,4-tetrol

C12H15FN2O4 — CID 118128954

IUPAC(1R,2R,3R,4R)-1-(6-fluoro-1H-benzimidazol-2-yl)pentane-1,2,3,4-tetrol
SMILESC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C12H15FN2O4/c1-5(16)9(17)10(18)11(19)12-14-7-3-2-6(13)4-8(7)15-12/h2-5,9-11,16-19H,1H3,(H,14,15)/t5-,9-,10+,11+/m1/s1
InChIKeyIAKCUAYVXBYQJX-SJXNIKTHSA-N
MW270.26 g/mol
LogP-0.16
Rot. Bonds4

About (1R,2R,3R,4R)-1-(6-fluoro-1H-benzimidazol-2-yl)pentane-1,2,3,4-tetrol

(1R,2R,3R,4R)-1-(6-fluoro-1H-benzimidazol-2-yl)pentane-1,2,3,4-tetrol (PubChem CID 118128954) has the molecular formula C12H15FN2O4 and a molecular weight of 270.26 g/mol. Its IUPAC name is (1R,2R,3R,4R)-1-(6-fluoro-1H-benzimidazol-2-yl)pentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1R,2R,3R,4R)-1-(6-fluoro-1H-benzimidazol-2-yl)pentane-1,2,3,4-tetrol
PubChem CID118128954
Molecular FormulaC12H15FN2O4
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC Name(1R,2R,3R,4R)-1-(6-fluoro-1H-benzimidazol-2-yl)pentane-1,2,3,4-tetrol
SMILESC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C12H15FN2O4/c1-5(16)9(17)10(18)11(19)12-14-7-3-2-6(13)4-8(7)15-12/h2-5,9-11,16-19H,1H3,(H,14,15)/t5-,9-,10+,11+/m1/s1
InChIKeyIAKCUAYVXBYQJX-SJXNIKTHSA-N
XLogP-0.16
TPSA109.60 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4R)-1-(6-fluoro-1H-benzimidazol-2-yl)pentane-1,2,3,4-tetrol?
The IUPAC name of (1R,2R,3R,4R)-1-(6-fluoro-1H-benzimidazol-2-yl)pentane-1,2,3,4-tetrol (CID 118128954) is (1R,2R,3R,4R)-1-(6-fluoro-1H-benzimidazol-2-yl)pentane-1,2,3,4-tetrol.
What is the SMILES notation for (1R,2R,3R,4R)-1-(6-fluoro-1H-benzimidazol-2-yl)pentane-1,2,3,4-tetrol?
The canonical SMILES for (1R,2R,3R,4R)-1-(6-fluoro-1H-benzimidazol-2-yl)pentane-1,2,3,4-tetrol is C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of (1R,2R,3R,4R)-1-(6-fluoro-1H-benzimidazol-2-yl)pentane-1,2,3,4-tetrol?
The InChIKey is IAKCUAYVXBYQJX-SJXNIKTHSA-N. The full InChI is InChI=1S/C12H15FN2O4/c1-5(16)9(17)10(18)11(19)12-14-7-3-2-6(13)4-8(7)15-12/h2-5,9-11,16-19H,1H3,(H,14,15)/t5-,9-,10+,11+/m1/s1.
What are the key properties of (1R,2R,3R,4R)-1-(6-fluoro-1H-benzimidazol-2-yl)pentane-1,2,3,4-tetrol?
(1R,2R,3R,4R)-1-(6-fluoro-1H-benzimidazol-2-yl)pentane-1,2,3,4-tetrol has a molecular weight of 270.26 g/mol, XLogP of -0.16, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4R)-1-(6-fluoro-1H-benzimidazol-2-yl)pentane-1,2,3,4-tetrol is sourced from PubChem (CID 118128954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).