[6-[[2-(hydroxymethyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazol-2-yl]methanol

C16H14N4O4S — CID 1080107

IUPAC[6-[[2-(hydroxymethyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazol-2-yl]methanol
SMILESO=S(=O)(c1ccc2nc(CO)[nH]c2c1)c1ccc2nc(CO)[nH]c2c1
InChIInChI=1S/C16H14N4O4S/c21-7-15-17-11-3-1-9(5-13(11)19-15)25(23,24)10-2-4-12-14(6-10)20-16(8-22)18-12/h1-6,21-22H,7-8H2,(H,17,19)(H,18,20)
InChIKeyJORDTHPLQJEPLK-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.26
Rot. Bonds4

About [6-[[2-(hydroxymethyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazol-2-yl]methanol

[6-[[2-(hydroxymethyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazol-2-yl]methanol (PubChem CID 1080107) has the molecular formula C16H14N4O4S and a molecular weight of 358.38 g/mol. Its IUPAC name is [6-[[2-(hydroxymethyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[6-[[2-(hydroxymethyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazol-2-yl]methanol
PubChem CID1080107
Molecular FormulaC16H14N4O4S
Molecular Weight358.38 g/mol
Exact Mass358.07
IUPAC Name[6-[[2-(hydroxymethyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazol-2-yl]methanol
SMILESO=S(=O)(c1ccc2nc(CO)[nH]c2c1)c1ccc2nc(CO)[nH]c2c1
InChIInChI=1S/C16H14N4O4S/c21-7-15-17-11-3-1-9(5-13(11)19-15)25(23,24)10-2-4-12-14(6-10)20-16(8-22)18-12/h1-6,21-22H,7-8H2,(H,17,19)(H,18,20)
InChIKeyJORDTHPLQJEPLK-UHFFFAOYSA-N
XLogP1.26
TPSA131.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[[2-(hydroxymethyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazol-2-yl]methanol?
The IUPAC name of [6-[[2-(hydroxymethyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazol-2-yl]methanol (CID 1080107) is [6-[[2-(hydroxymethyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazol-2-yl]methanol.
What is the SMILES notation for [6-[[2-(hydroxymethyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazol-2-yl]methanol?
The canonical SMILES for [6-[[2-(hydroxymethyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazol-2-yl]methanol is O=S(=O)(c1ccc2nc(CO)[nH]c2c1)c1ccc2nc(CO)[nH]c2c1.
What is the InChIKey of [6-[[2-(hydroxymethyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazol-2-yl]methanol?
The InChIKey is JORDTHPLQJEPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4S/c21-7-15-17-11-3-1-9(5-13(11)19-15)25(23,24)10-2-4-12-14(6-10)20-16(8-22)18-12/h1-6,21-22H,7-8H2,(H,17,19)(H,18,20).
What are the key properties of [6-[[2-(hydroxymethyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazol-2-yl]methanol?
[6-[[2-(hydroxymethyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazol-2-yl]methanol has a molecular weight of 358.38 g/mol, XLogP of 1.26, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[2-(hydroxymethyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazol-2-yl]methanol is sourced from PubChem (CID 1080107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).