[2-[(3-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol

C18H16ClFN2OS — CID 22576372

IUPAC[2-[(3-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol
SMILESOCc1cnc(SCc2cccc(Cl)c2)n1Cc1ccc(F)cc1
InChIInChI=1S/C18H16ClFN2OS/c19-15-3-1-2-14(8-15)12-24-18-21-9-17(11-23)22(18)10-13-4-6-16(20)7-5-13/h1-9,23H,10-12H2
InChIKeyLCEVGVQQATUQDA-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.51
Rot. Bonds6

About [2-[(3-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol

[2-[(3-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol (PubChem CID 22576372) has the molecular formula C18H16ClFN2OS and a molecular weight of 362.86 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol
PubChem CID22576372
Molecular FormulaC18H16ClFN2OS
Molecular Weight362.86 g/mol
Exact Mass362.07
IUPAC Name[2-[(3-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol
SMILESOCc1cnc(SCc2cccc(Cl)c2)n1Cc1ccc(F)cc1
InChIInChI=1S/C18H16ClFN2OS/c19-15-3-1-2-14(8-15)12-24-18-21-9-17(11-23)22(18)10-13-4-6-16(20)7-5-13/h1-9,23H,10-12H2
InChIKeyLCEVGVQQATUQDA-UHFFFAOYSA-N
XLogP4.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-benzyl-2-(methylsulfanyl)-1H-imidazol-5-yl]methanol
CID 2795488
(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-benzyl-2-[(4-chlorobenzyl)sulfonyl]-1H-imidazol-5-yl}methanol
CID 1479645
{2-[(2,6-dichlorobenzyl)sulfanyl]-1-methyl-1H-imidazol-5-yl}methanol
CID 2763897
{2-[(4-fluorobenzyl)sulfanyl]-1-methyl-1H-imidazol-5-yl}methanol
CID 2774447
{1-[(4-Fluorophenyl)methyl]-2-{[(2-methylphenyl)methyl]sulfanyl}-1H-imidazol-5-YL}methanol
CID 16028984
N-(3-Chloro-4-methylphenyl)-2-{[5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-1H-imidazol-2-YL]sulfanyl}acetamide
CID 16029238
[1-benzyl-2-(benzylsulfanyl)-1H-imidazol-5-yl]methanol
CID 3759278
{2-[(4-chlorobenzyl)sulfanyl]-1-methyl-1H-imidazol-5-yl}methanol
CID 1475505
{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

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol?
The IUPAC name of [2-[(3-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol (CID 22576372) is [2-[(3-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol.
What is the SMILES notation for [2-[(3-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol?
The canonical SMILES for [2-[(3-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol is OCc1cnc(SCc2cccc(Cl)c2)n1Cc1ccc(F)cc1.
What is the InChIKey of [2-[(3-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol?
The InChIKey is LCEVGVQQATUQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2OS/c19-15-3-1-2-14(8-15)12-24-18-21-9-17(11-23)22(18)10-13-4-6-16(20)7-5-13/h1-9,23H,10-12H2.
What are the key properties of [2-[(3-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol?
[2-[(3-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol has a molecular weight of 362.86 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol is sourced from PubChem (CID 22576372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).