[2-[(2-fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol

C20H21FN2O2S — CID 7115243

IUPAC[2-[(2-fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol
SMILESCOc1ccc(CCn2c(CO)cnc2SCc2ccccc2F)cc1
InChIInChI=1S/C20H21FN2O2S/c1-25-18-8-6-15(7-9-18)10-11-23-17(13-24)12-22-20(23)26-14-16-4-2-3-5-19(16)21/h2-9,12,24H,10-11,13-14H2,1H3
InChIKeyFSWXUJSDEHVIGC-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.06
Rot. Bonds8

About [2-[(2-fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol

[2-[(2-fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol (PubChem CID 7115243) has the molecular formula C20H21FN2O2S and a molecular weight of 372.47 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol
PubChem CID7115243
Molecular FormulaC20H21FN2O2S
Molecular Weight372.47 g/mol
Exact Mass372.13
IUPAC Name[2-[(2-fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol
SMILESCOc1ccc(CCn2c(CO)cnc2SCc2ccccc2F)cc1
InChIInChI=1S/C20H21FN2O2S/c1-25-18-8-6-15(7-9-18)10-11-23-17(13-24)12-22-20(23)26-14-16-4-2-3-5-19(16)21/h2-9,12,24H,10-11,13-14H2,1H3
InChIKeyFSWXUJSDEHVIGC-UHFFFAOYSA-N
XLogP4.06
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-1-methyl-1H-imidazol-5-yl)methanol
CID 2763905
2-({1-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-1H-imidazol-2-YL}sulfanyl)-N-(2-methoxyphenyl)acetamide
CID 16028980
N-(3-Acetamidophenyl)-2-{[5-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]-1H-imidazol-2-YL]sulfanyl}acetamide
CID 24793674
(4-methoxyphenyl)(1-methyl-2-propyl-1H-imidazol-5-yl)methanol
CID 2858286
[2-(Benzylsulfanyl)-1-[(4-methoxyphenyl)methyl]-1H-imidazol-5-YL]methanol
CID 16029009
(3-Benzyl-2-methylimidazol-4-yl)-(4-methoxyphenyl)methanol
CID 303175
{1-[(4-Methoxyphenyl)methyl]-2-{[(3-methylphenyl)methyl]sulfanyl}-1H-imidazol-5-YL}methanol
CID 7218854
(2-{[(4-Fluorophenyl)methyl]sulfanyl}-1-[(4-methoxyphenyl)methyl]-1H-imidazol-5-YL)methanol
CID 7331883
{1-[(4-Methoxyphenyl)methyl]-2-{[(4-methylphenyl)methyl]sulfanyl}-1H-imidazol-5-YL}methanol
CID 16029014
(2-{[(3,5-Dimethoxyphenyl)methyl]sulfanyl}-1-[(4-methylphenyl)methyl]-1H-imidazol-5-YL)methanol
CID 16029236
(1-(4-methoxybenzyl)-2-((2-methylbenzyl)thio)-1H-imidazol-5-yl)methanol
CID 16029011
5-(4-methoxyphenyl)-1-methyl-2-((3-(trifluoromethyl)benzyl)thio)-1H-imidazole
CID 18569212

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol?
The IUPAC name of [2-[(2-fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol (CID 7115243) is [2-[(2-fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol.
What is the SMILES notation for [2-[(2-fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol?
The canonical SMILES for [2-[(2-fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol is COc1ccc(CCn2c(CO)cnc2SCc2ccccc2F)cc1.
What is the InChIKey of [2-[(2-fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol?
The InChIKey is FSWXUJSDEHVIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c1-25-18-8-6-15(7-9-18)10-11-23-17(13-24)12-22-20(23)26-14-16-4-2-3-5-19(16)21/h2-9,12,24H,10-11,13-14H2,1H3.
What are the key properties of [2-[(2-fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol?
[2-[(2-fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol has a molecular weight of 372.47 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol is sourced from PubChem (CID 7115243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).