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

C16H15BrN2O3S — CID 11176896

IUPAC2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-bromophenyl)ethanol
SMILESO=S(=O)(Cc1nc2ccccc2[nH]1)CC(O)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O3S/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)
InChIKeyCWLCAGQVMHIBST-UHFFFAOYSA-N
MW395.28 g/mol
LogP2.97
Rot. Bonds5

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

2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-bromophenyl)ethanol (PubChem CID 11176896) has the molecular formula C16H15BrN2O3S and a molecular weight of 395.28 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-bromophenyl)ethanol.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-bromophenyl)ethanol
PubChem CID11176896
Molecular FormulaC16H15BrN2O3S
Molecular Weight395.28 g/mol
Exact Mass394.00
IUPAC Name2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-bromophenyl)ethanol
SMILESO=S(=O)(Cc1nc2ccccc2[nH]1)CC(O)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O3S/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)
InChIKeyCWLCAGQVMHIBST-UHFFFAOYSA-N
XLogP2.97
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-chlorophenyl)ethanol
CID 11291055
6-(1H-benzimidazol-2-ylmethylsulfonyl)hexan-1-ol
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2-[(6-chloro-1H-benzimidazol-2-yl)methylsulfonyl]-1-(4-fluoro-3-methylphenyl)ethanol
CID 11222801
N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
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3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide
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CID 173407773
CID 173407773
2-(1H-benzimidazol-2-yl)ethyl-trihydroxyphosphanium
CID 70879958
2-heptadecyl-1H-benzimidazole;sulfuric acid
CID 70491996
3-[(S)-(4-bromophenyl)-chloromethyl]-1H-quinoxalin-2-one
CID 40543846
2-[2-(1H-benzimidazol-2-yl)ethylsulfonyl]propanoic acid
CID 82337261
2-(2-naphthalen-2-ylpropyl)-1H-benzimidazole
CID 69480611
N-[[2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethylidene]amino]aniline
CID 4621392

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-bromophenyl)ethanol?
The IUPAC name of 2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-bromophenyl)ethanol (CID 11176896) is 2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-bromophenyl)ethanol.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-bromophenyl)ethanol?
The canonical SMILES for 2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-bromophenyl)ethanol is O=S(=O)(Cc1nc2ccccc2[nH]1)CC(O)c1ccc(Br)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-bromophenyl)ethanol?
The InChIKey is CWLCAGQVMHIBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3S/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-bromophenyl)ethanol?
2-(1H-benzimidazol-2-ylmethylsulfonyl)-1-(4-bromophenyl)ethanol has a molecular weight of 395.28 g/mol, XLogP of 2.97, 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-bromophenyl)ethanol is sourced from PubChem (CID 11176896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).