(1S,2S)-1,2-bis(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diol

C16H12F2N4O2 — CID 6927588

IUPAC(1S,2S)-1,2-bis(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diol
SMILESO[C@@H](c1nc2ccc(F)cc2[nH]1)[C@@H](O)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C16H12F2N4O2/c17-7-1-3-9-11(5-7)21-15(19-9)13(23)14(24)16-20-10-4-2-8(18)6-12(10)22-16/h1-6,13-14,23-24H,(H,19,21)(H,20,22)/t13-,14-/m1/s1
InChIKeyGATVUWZGDBORAV-ZIAGYGMSSA-N
MW330.29 g/mol
LogP2.48
Rot. Bonds3

About (1S,2S)-1,2-bis(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diol

(1S,2S)-1,2-bis(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diol (PubChem CID 6927588) has the molecular formula C16H12F2N4O2 and a molecular weight of 330.29 g/mol. Its IUPAC name is (1S,2S)-1,2-bis(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diol.

Molecular Properties

Compound Name(1S,2S)-1,2-bis(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diol
PubChem CID6927588
Molecular FormulaC16H12F2N4O2
Molecular Weight330.29 g/mol
Exact Mass330.09
IUPAC Name(1S,2S)-1,2-bis(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diol
SMILESO[C@@H](c1nc2ccc(F)cc2[nH]1)[C@@H](O)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C16H12F2N4O2/c17-7-1-3-9-11(5-7)21-15(19-9)13(23)14(24)16-20-10-4-2-8(18)6-12(10)22-16/h1-6,13-14,23-24H,(H,19,21)(H,20,22)/t13-,14-/m1/s1
InChIKeyGATVUWZGDBORAV-ZIAGYGMSSA-N
XLogP2.48
TPSA97.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1,2-bis(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diol?
The IUPAC name of (1S,2S)-1,2-bis(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diol (CID 6927588) is (1S,2S)-1,2-bis(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diol.
What is the SMILES notation for (1S,2S)-1,2-bis(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diol?
The canonical SMILES for (1S,2S)-1,2-bis(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diol is O[C@@H](c1nc2ccc(F)cc2[nH]1)[C@@H](O)c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of (1S,2S)-1,2-bis(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diol?
The InChIKey is GATVUWZGDBORAV-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H12F2N4O2/c17-7-1-3-9-11(5-7)21-15(19-9)13(23)14(24)16-20-10-4-2-8(18)6-12(10)22-16/h1-6,13-14,23-24H,(H,19,21)(H,20,22)/t13-,14-/m1/s1.
What are the key properties of (1S,2S)-1,2-bis(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diol?
(1S,2S)-1,2-bis(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diol has a molecular weight of 330.29 g/mol, XLogP of 2.48, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1,2-bis(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diol is sourced from PubChem (CID 6927588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).