2-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]ethanol

C10H12N2O3S — CID 116852802

IUPAC2-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]ethanol
SMILESCc1nc2ccc(S(=O)(=O)CCO)cc2[nH]1
InChIInChI=1S/C10H12N2O3S/c1-7-11-9-3-2-8(6-10(9)12-7)16(14,15)5-4-13/h2-3,6,13H,4-5H2,1H3,(H,11,12)
InChIKeyQOBVDBMSUVZFAS-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.64
Rot. Bonds3

About 2-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]ethanol

2-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]ethanol (PubChem CID 116852802) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]ethanol.

Molecular Properties

Compound Name2-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]ethanol
PubChem CID116852802
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name2-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]ethanol
SMILESCc1nc2ccc(S(=O)(=O)CCO)cc2[nH]1
InChIInChI=1S/C10H12N2O3S/c1-7-11-9-3-2-8(6-10(9)12-7)16(14,15)5-4-13/h2-3,6,13H,4-5H2,1H3,(H,11,12)
InChIKeyQOBVDBMSUVZFAS-UHFFFAOYSA-N
XLogP0.64
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)propyl]-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760105
2-methyl-N-(3-methylbutyl)-3H-benzimidazole-5-sulfonamide
CID 110760149
N-[2-(dimethylamino)ethyl]-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760103
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-sulfonamide
CID 110760126
6-(2-hydroxyethylsulfonyl)-N-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-2-carboxamide
CID 86595874
[6-[[2-(hydroxymethyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazol-2-yl]methanol
CID 1080107
N-benzyl-2-methyl-N-propan-2-yl-3H-benzimidazole-5-sulfonamide
CID 110760148
N-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760177
N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 70877342
N-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide
CID 64584356
4-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;molecular hydrogen
CID 142983845
2-(hydroxymethyl)-3H-benzimidazole-5-sulfonic acid chloride
CID 43829262

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]ethanol?
The IUPAC name of 2-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]ethanol (CID 116852802) is 2-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]ethanol.
What is the SMILES notation for 2-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]ethanol?
The canonical SMILES for 2-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]ethanol is Cc1nc2ccc(S(=O)(=O)CCO)cc2[nH]1.
What is the InChIKey of 2-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]ethanol?
The InChIKey is QOBVDBMSUVZFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-7-11-9-3-2-8(6-10(9)12-7)16(14,15)5-4-13/h2-3,6,13H,4-5H2,1H3,(H,11,12).
What are the key properties of 2-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]ethanol?
2-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]ethanol has a molecular weight of 240.28 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]ethanol is sourced from PubChem (CID 116852802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).