[1-[2-(benzenesulfonyl)ethyl]benzimidazol-2-yl]methanol

C16H16N2O3S — CID 47023526

IUPAC[1-[2-(benzenesulfonyl)ethyl]benzimidazol-2-yl]methanol
SMILESO=S(=O)(CCn1c(CO)nc2ccccc21)c1ccccc1
InChIInChI=1S/C16H16N2O3S/c19-12-16-17-14-8-4-5-9-15(14)18(16)10-11-22(20,21)13-6-2-1-3-7-13/h1-9,19H,10-12H2
InChIKeyFBCFKMJEFYXEGN-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.00
Rot. Bonds5

About [1-[2-(benzenesulfonyl)ethyl]benzimidazol-2-yl]methanol

[1-[2-(benzenesulfonyl)ethyl]benzimidazol-2-yl]methanol (PubChem CID 47023526) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is [1-[2-(benzenesulfonyl)ethyl]benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(benzenesulfonyl)ethyl]benzimidazol-2-yl]methanol
PubChem CID47023526
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name[1-[2-(benzenesulfonyl)ethyl]benzimidazol-2-yl]methanol
SMILESO=S(=O)(CCn1c(CO)nc2ccccc21)c1ccccc1
InChIInChI=1S/C16H16N2O3S/c19-12-16-17-14-8-4-5-9-15(14)18(16)10-11-22(20,21)13-6-2-1-3-7-13/h1-9,19H,10-12H2
InChIKeyFBCFKMJEFYXEGN-UHFFFAOYSA-N
XLogP2.00
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-phenoxybutyl)benzimidazol-2-yl]methanol
CID 2945062
2-[2-(benzenesulfonylmethyl)benzimidazol-1-yl]-1-phenylethanol
CID 17471163
[1-(methoxymethyl)benzimidazol-2-yl]methanol
CID 1233949
2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol
CID 17479592
2-[1-(2-ethylsulfonylethyl)benzimidazol-2-yl]ethanethioamide
CID 63636716
1-(2-tert-butylsulfonylethyl)-2-ethylbenzimidazole
CID 103710309
2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]ethanesulfonamide
CID 55091658
3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide
CID 74234579
2-[2-(benzenesulfonyl)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole
CID 37133115
[1-[2-(1-adamantyl)ethyl]benzimidazol-2-yl]methanol
CID 112787651
[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methanol
CID 16995292
4-[2-(hydroxymethyl)benzimidazol-1-yl]sulfonyl-2-methylbutan-2-ol
CID 163613068

Frequently Asked Questions

What is the IUPAC name of [1-[2-(benzenesulfonyl)ethyl]benzimidazol-2-yl]methanol?
The IUPAC name of [1-[2-(benzenesulfonyl)ethyl]benzimidazol-2-yl]methanol (CID 47023526) is [1-[2-(benzenesulfonyl)ethyl]benzimidazol-2-yl]methanol.
What is the SMILES notation for [1-[2-(benzenesulfonyl)ethyl]benzimidazol-2-yl]methanol?
The canonical SMILES for [1-[2-(benzenesulfonyl)ethyl]benzimidazol-2-yl]methanol is O=S(=O)(CCn1c(CO)nc2ccccc21)c1ccccc1.
What is the InChIKey of [1-[2-(benzenesulfonyl)ethyl]benzimidazol-2-yl]methanol?
The InChIKey is FBCFKMJEFYXEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c19-12-16-17-14-8-4-5-9-15(14)18(16)10-11-22(20,21)13-6-2-1-3-7-13/h1-9,19H,10-12H2.
What are the key properties of [1-[2-(benzenesulfonyl)ethyl]benzimidazol-2-yl]methanol?
[1-[2-(benzenesulfonyl)ethyl]benzimidazol-2-yl]methanol has a molecular weight of 316.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(benzenesulfonyl)ethyl]benzimidazol-2-yl]methanol is sourced from PubChem (CID 47023526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).