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

C20H21FN2O2S — CID 7115218

IUPAC[2-[(3-fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol
SMILESCOc1ccc(CCn2c(CO)cnc2SCc2cccc(F)c2)cc1
InChIInChI=1S/C20H21FN2O2S/c1-25-19-7-5-15(6-8-19)9-10-23-18(13-24)12-22-20(23)26-14-16-3-2-4-17(21)11-16/h2-8,11-12,24H,9-10,13-14H2,1H3
InChIKeyWVKVYQGIMHMQNL-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.06
Rot. Bonds8

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

[2-[(3-fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol (PubChem CID 7115218) has the molecular formula C20H21FN2O2S and a molecular weight of 372.47 g/mol. Its IUPAC name is [2-[(3-fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(3-fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol
PubChem CID7115218
Molecular FormulaC20H21FN2O2S
Molecular Weight372.47 g/mol
Exact Mass372.13
IUPAC Name[2-[(3-fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol
SMILESCOc1ccc(CCn2c(CO)cnc2SCc2cccc(F)c2)cc1
InChIInChI=1S/C20H21FN2O2S/c1-25-19-7-5-15(6-8-19)9-10-23-18(13-24)12-22-20(23)26-14-16-3-2-4-17(21)11-16/h2-8,11-12,24H,9-10,13-14H2,1H3
InChIKeyWVKVYQGIMHMQNL-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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Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol?
The IUPAC name of [2-[(3-fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol (CID 7115218) is [2-[(3-fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol.
What is the SMILES notation for [2-[(3-fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol?
The canonical SMILES for [2-[(3-fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol is COc1ccc(CCn2c(CO)cnc2SCc2cccc(F)c2)cc1.
What is the InChIKey of [2-[(3-fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol?
The InChIKey is WVKVYQGIMHMQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c1-25-19-7-5-15(6-8-19)9-10-23-18(13-24)12-22-20(23)26-14-16-3-2-4-17(21)11-16/h2-8,11-12,24H,9-10,13-14H2,1H3.
What are the key properties of [2-[(3-fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol?
[2-[(3-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-[(3-fluorophenyl)methylsulfanyl]-3-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]methanol is sourced from PubChem (CID 7115218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).