[3-benzyl-2-[(4-chlorophenyl)methylsulfonyl]imidazol-4-yl]methanol

C18H17ClN2O3S — CID 1479645

IUPAC[3-benzyl-2-[(4-chlorophenyl)methylsulfonyl]imidazol-4-yl]methanol
SMILESO=S(=O)(Cc1ccc(Cl)cc1)c1ncc(CO)n1Cc1ccccc1
InChIInChI=1S/C18H17ClN2O3S/c19-16-8-6-15(7-9-16)13-25(23,24)18-20-10-17(12-22)21(18)11-14-4-2-1-3-5-14/h1-10,22H,11-13H2
InChIKeyTUDYPJSJXPLTFD-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.05
Rot. Bonds6

About [3-benzyl-2-[(4-chlorophenyl)methylsulfonyl]imidazol-4-yl]methanol

[3-benzyl-2-[(4-chlorophenyl)methylsulfonyl]imidazol-4-yl]methanol (PubChem CID 1479645) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is [3-benzyl-2-[(4-chlorophenyl)methylsulfonyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-benzyl-2-[(4-chlorophenyl)methylsulfonyl]imidazol-4-yl]methanol
PubChem CID1479645
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC Name[3-benzyl-2-[(4-chlorophenyl)methylsulfonyl]imidazol-4-yl]methanol
SMILESO=S(=O)(Cc1ccc(Cl)cc1)c1ncc(CO)n1Cc1ccccc1
InChIInChI=1S/C18H17ClN2O3S/c19-16-8-6-15(7-9-16)13-25(23,24)18-20-10-17(12-22)21(18)11-14-4-2-1-3-5-14/h1-10,22H,11-13H2
InChIKeyTUDYPJSJXPLTFD-UHFFFAOYSA-N
XLogP3.05
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

{2-[(2,6-dichlorobenzyl)sulfonyl]-1-methyl-1H-imidazol-5-yl}methanol
CID 1480847
(3-Benzyl-2-prop-2-enylsulfanylimidazol-4-yl)methanol
CID 3849965
(4-chlorophenyl)(2-(3-(dimethylamino)propylthio)-1-methyl-1H-imidazol-5-yl)methanol
CID 44570656
{1-[(4-Fluorophenyl)methyl]-2-{[(2-methylphenyl)methyl]sulfanyl}-1H-imidazol-5-YL}methanol
CID 16028984
{2-[(4-chlorobenzyl)sulfonyl]-1-methyl-1H-imidazol-5-yl}methanol
CID 1479648
[1-benzyl-2-(benzylsulfanyl)-1H-imidazol-5-yl]methanol
CID 3759278
[2-(ethylsulfonyl)-1-(2-phenylethyl)-1H-imidazol-5-yl]methanol
CID 6460483
{2-[(4-chlorobenzyl)sulfanyl]-1-methyl-1H-imidazol-5-yl}methanol
CID 1475505
2-(4-chlorophenyl)-1-[4-(methylsulfonyl)phenyl]-1H-imidazole-4-methanol
CID 10832510
{1-benzyl-2-[(4-chlorobenzyl)sulfinyl]-1H-imidazol-5-yl}methanol
CID 1479644
(1-(4-fluorobenzyl)-2-((4-fluorobenzyl)thio)-1H-imidazol-5-yl)methanol
CID 7115737
{1-[(4-Fluorophenyl)methyl]-2-{[(3-fluorophenyl)methyl]sulfanyl}-1H-imidazol-5-YL}methanol
CID 7115820

Frequently Asked Questions

What is the IUPAC name of [3-benzyl-2-[(4-chlorophenyl)methylsulfonyl]imidazol-4-yl]methanol?
The IUPAC name of [3-benzyl-2-[(4-chlorophenyl)methylsulfonyl]imidazol-4-yl]methanol (CID 1479645) is [3-benzyl-2-[(4-chlorophenyl)methylsulfonyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-benzyl-2-[(4-chlorophenyl)methylsulfonyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-benzyl-2-[(4-chlorophenyl)methylsulfonyl]imidazol-4-yl]methanol is O=S(=O)(Cc1ccc(Cl)cc1)c1ncc(CO)n1Cc1ccccc1.
What is the InChIKey of [3-benzyl-2-[(4-chlorophenyl)methylsulfonyl]imidazol-4-yl]methanol?
The InChIKey is TUDYPJSJXPLTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c19-16-8-6-15(7-9-16)13-25(23,24)18-20-10-17(12-22)21(18)11-14-4-2-1-3-5-14/h1-10,22H,11-13H2.
What are the key properties of [3-benzyl-2-[(4-chlorophenyl)methylsulfonyl]imidazol-4-yl]methanol?
[3-benzyl-2-[(4-chlorophenyl)methylsulfonyl]imidazol-4-yl]methanol has a molecular weight of 376.87 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-benzyl-2-[(4-chlorophenyl)methylsulfonyl]imidazol-4-yl]methanol is sourced from PubChem (CID 1479645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).