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

C19H19FN2O2S — CID 22576436

IUPAC[2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol
SMILESCOc1ccc(Cn2c(CO)cnc2SCc2cccc(F)c2)cc1
InChIInChI=1S/C19H19FN2O2S/c1-24-18-7-5-14(6-8-18)11-22-17(12-23)10-21-19(22)25-13-15-3-2-4-16(20)9-15/h2-10,23H,11-13H2,1H3
InChIKeyMGGDCVAQLCTRJM-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.86
Rot. Bonds7

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

[2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol (PubChem CID 22576436) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is [2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol
PubChem CID22576436
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC Name[2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol
SMILESCOc1ccc(Cn2c(CO)cnc2SCc2cccc(F)c2)cc1
InChIInChI=1S/C19H19FN2O2S/c1-24-18-7-5-14(6-8-18)11-22-17(12-23)10-21-19(22)25-13-15-3-2-4-16(20)9-15/h2-10,23H,11-13H2,1H3
InChIKeyMGGDCVAQLCTRJM-UHFFFAOYSA-N
XLogP3.86
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.86
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-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol?
The IUPAC name of [2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol (CID 22576436) is [2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol.
What is the SMILES notation for [2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol?
The canonical SMILES for [2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol is COc1ccc(Cn2c(CO)cnc2SCc2cccc(F)c2)cc1.
What is the InChIKey of [2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol?
The InChIKey is MGGDCVAQLCTRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-24-18-7-5-14(6-8-18)11-22-17(12-23)10-21-19(22)25-13-15-3-2-4-16(20)9-15/h2-10,23H,11-13H2,1H3.
What are the key properties of [2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol?
[2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol has a molecular weight of 358.44 g/mol, XLogP of 3.86, 7 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-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol is sourced from PubChem (CID 22576436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).