(1S)-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)ethanol

C10H12N2O3S — CID 66264432

IUPAC(1S)-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)ethanol
SMILESC[C@H](O)c1nc2ccc(S(C)(=O)=O)cc2[nH]1
InChIInChI=1S/C10H12N2O3S/c1-6(13)10-11-8-4-3-7(16(2,14)15)5-9(8)12-10/h3-6,13H,1-2H3,(H,11,12)/t6-/m0/s1
InChIKeyYQVKYXCCUDZFTG-LURJTMIESA-N
MW240.28 g/mol
LogP1.02
Rot. Bonds2

About (1S)-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)ethanol

(1S)-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)ethanol (PubChem CID 66264432) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is (1S)-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)ethanol
PubChem CID66264432
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name(1S)-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)ethanol
SMILESC[C@H](O)c1nc2ccc(S(C)(=O)=O)cc2[nH]1
InChIInChI=1S/C10H12N2O3S/c1-6(13)10-11-8-4-3-7(16(2,14)15)5-9(8)12-10/h3-6,13H,1-2H3,(H,11,12)/t6-/m0/s1
InChIKeyYQVKYXCCUDZFTG-LURJTMIESA-N
XLogP1.02
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)ethanol?
The IUPAC name of (1S)-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)ethanol (CID 66264432) is (1S)-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)ethanol.
What is the SMILES notation for (1S)-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)ethanol?
The canonical SMILES for (1S)-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)ethanol is C[C@H](O)c1nc2ccc(S(C)(=O)=O)cc2[nH]1.
What is the InChIKey of (1S)-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)ethanol?
The InChIKey is YQVKYXCCUDZFTG-LURJTMIESA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-6(13)10-11-8-4-3-7(16(2,14)15)5-9(8)12-10/h3-6,13H,1-2H3,(H,11,12)/t6-/m0/s1.
What are the key properties of (1S)-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)ethanol?
(1S)-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)ethanol has a molecular weight of 240.28 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)ethanol is sourced from PubChem (CID 66264432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).