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

C18H17ClN2O2S — CID 34365673

IUPAC[3-benzyl-2-[(R)-(4-chlorophenyl)methylsulfinyl]imidazol-4-yl]methanol
SMILESO=[S@](Cc1ccc(Cl)cc1)c1ncc(CO)n1Cc1ccccc1
InChIInChI=1S/C18H17ClN2O2S/c19-16-8-6-15(7-9-16)13-24(23)18-20-10-17(12-22)21(18)11-14-4-2-1-3-5-14/h1-10,22H,11-13H2/t24-/m1/s1
InChIKeyJSONNXUTXSQACA-XMMPIXPASA-N
MW360.87 g/mol
LogP3.38
Rot. Bonds6

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

[3-benzyl-2-[(R)-(4-chlorophenyl)methylsulfinyl]imidazol-4-yl]methanol (PubChem CID 34365673) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is [3-benzyl-2-[(R)-(4-chlorophenyl)methylsulfinyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-benzyl-2-[(R)-(4-chlorophenyl)methylsulfinyl]imidazol-4-yl]methanol
PubChem CID34365673
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC Name[3-benzyl-2-[(R)-(4-chlorophenyl)methylsulfinyl]imidazol-4-yl]methanol
SMILESO=[S@](Cc1ccc(Cl)cc1)c1ncc(CO)n1Cc1ccccc1
InChIInChI=1S/C18H17ClN2O2S/c19-16-8-6-15(7-9-16)13-24(23)18-20-10-17(12-22)21(18)11-14-4-2-1-3-5-14/h1-10,22H,11-13H2/t24-/m1/s1
InChIKeyJSONNXUTXSQACA-XMMPIXPASA-N
XLogP3.38
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-chlorophenyl)methyl]-5-(2-phenylethyl)pyrrol-2-yl]methanol
CID 100793458
1-(benzylsulfinylmethyl)-4-chlorobenzene
CID 12907855
[3-benzyl-2-(2-phenylethylsulfanyl)imidazol-4-yl]methanol
CID 22576278
[3-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol
CID 22576484
[2-[(4-chlorophenyl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol
CID 22576438
[3-benzyl-2-[(2-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol
CID 22576301
4-[[5-(hydroxymethyl)-2-methylimidazol-1-yl]methyl]benzoic acid;molecular iodine
CID 158935593
[4-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)phenyl]methanesulfinic acid
CID 174387692
2-[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide
CID 22576257
1-chloro-4-[(4-iodophenyl)sulfinylmethyl]benzene
CID 154124087
2-[1-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 22576504
2-[(R)-benzylsulfinyl]-N-(4-chlorophenyl)acetamide
CID 95169344

Frequently Asked Questions

What is the IUPAC name of [3-benzyl-2-[(R)-(4-chlorophenyl)methylsulfinyl]imidazol-4-yl]methanol?
The IUPAC name of [3-benzyl-2-[(R)-(4-chlorophenyl)methylsulfinyl]imidazol-4-yl]methanol (CID 34365673) is [3-benzyl-2-[(R)-(4-chlorophenyl)methylsulfinyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-benzyl-2-[(R)-(4-chlorophenyl)methylsulfinyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-benzyl-2-[(R)-(4-chlorophenyl)methylsulfinyl]imidazol-4-yl]methanol is O=[S@](Cc1ccc(Cl)cc1)c1ncc(CO)n1Cc1ccccc1.
What is the InChIKey of [3-benzyl-2-[(R)-(4-chlorophenyl)methylsulfinyl]imidazol-4-yl]methanol?
The InChIKey is JSONNXUTXSQACA-XMMPIXPASA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c19-16-8-6-15(7-9-16)13-24(23)18-20-10-17(12-22)21(18)11-14-4-2-1-3-5-14/h1-10,22H,11-13H2/t24-/m1/s1.
What are the key properties of [3-benzyl-2-[(R)-(4-chlorophenyl)methylsulfinyl]imidazol-4-yl]methanol?
[3-benzyl-2-[(R)-(4-chlorophenyl)methylsulfinyl]imidazol-4-yl]methanol has a molecular weight of 360.87 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-benzyl-2-[(R)-(4-chlorophenyl)methylsulfinyl]imidazol-4-yl]methanol is sourced from PubChem (CID 34365673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).