2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-chlorophenyl)ethanol

C16H15ClN2O3S — CID 11291055

IUPAC2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-chlorophenyl)ethanol
SMILESO=S(=O)(Cc1nc2ccccc2[nH]1)CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O3S/c17-12-7-5-11(6-8-12)15(20)9-23(21,22)10-16-18-13-3-1-2-4-14(13)19-16/h1-8,15,20H,9-10H2,(H,18,19)
InChIKeyRUQOUONHFGECDM-UHFFFAOYSA-N
MW350.83 g/mol
LogP2.86
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-chlorophenyl)ethanol

2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-chlorophenyl)ethanol (PubChem CID 11291055) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-chlorophenyl)ethanol
PubChem CID11291055
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC Name2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-chlorophenyl)ethanol
SMILESO=S(=O)(Cc1nc2ccccc2[nH]1)CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O3S/c17-12-7-5-11(6-8-12)15(20)9-23(21,22)10-16-18-13-3-1-2-4-14(13)19-16/h1-8,15,20H,9-10H2,(H,18,19)
InChIKeyRUQOUONHFGECDM-UHFFFAOYSA-N
XLogP2.86
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-bromophenyl)ethanol
CID 11176896
2-[(6-chloro-1H-benzimidazol-2-yl)methylsulfonyl]-1-(4-fluoro-3-methylphenyl)ethanol
CID 11222801
1H-benzimidazol-2-yl-(4-chlorophenyl)methanol
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6-(1H-benzimidazol-2-ylmethylsulfonyl)hexan-1-ol
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2-(1H-benzimidazol-2-yl)ethyl-trihydroxyphosphanium
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CID 173407773
CID 173407773
N-[3-(1H-benzimidazol-2-yl)propyl]-4-chloro-N-methylbenzenesulfonamide
CID 1264970
4-(1H-benzimidazol-2-ylamino)-3-(4-chlorophenyl)butanoic acid
CID 18349352
2-heptadecyl-1H-benzimidazole;sulfuric acid
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2-[2-(1H-benzimidazol-2-yl)ethylsulfonyl]propanoic acid
CID 82337261
2-(2-naphthalen-2-ylpropyl)-1H-benzimidazole
CID 69480611
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(4-chlorophenyl)acetamide
CID 8762462

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-chlorophenyl)ethanol?
The IUPAC name of 2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-chlorophenyl)ethanol (CID 11291055) is 2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-chlorophenyl)ethanol.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-chlorophenyl)ethanol?
The canonical SMILES for 2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-chlorophenyl)ethanol is O=S(=O)(Cc1nc2ccccc2[nH]1)CC(O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-chlorophenyl)ethanol?
The InChIKey is RUQOUONHFGECDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c17-12-7-5-11(6-8-12)15(20)9-23(21,22)10-16-18-13-3-1-2-4-14(13)19-16/h1-8,15,20H,9-10H2,(H,18,19).
What are the key properties of 2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-chlorophenyl)ethanol?
2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-chlorophenyl)ethanol has a molecular weight of 350.83 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-chlorophenyl)ethanol is sourced from PubChem (CID 11291055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).