[2-[(4-fluorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol

C12H13FN2OS — CID 2774447

IUPAC[2-[(4-fluorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCc1ccc(F)cc1
InChIInChI=1S/C12H13FN2OS/c1-15-11(7-16)6-14-12(15)17-8-9-2-4-10(13)5-3-9/h2-6,16H,7-8H2,1H3
InChIKeyCBFLNDHQJUDXSL-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.34
Rot. Bonds4

About [2-[(4-fluorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol

[2-[(4-fluorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol (PubChem CID 2774447) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
PubChem CID2774447
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name[2-[(4-fluorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCc1ccc(F)cc1
InChIInChI=1S/C12H13FN2OS/c1-15-11(7-16)6-14-12(15)17-8-9-2-4-10(13)5-3-9/h2-6,16H,7-8H2,1H3
InChIKeyCBFLNDHQJUDXSL-UHFFFAOYSA-N
XLogP2.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
The IUPAC name of [2-[(4-fluorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol (CID 2774447) is [2-[(4-fluorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol.
What is the SMILES notation for [2-[(4-fluorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
The canonical SMILES for [2-[(4-fluorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol is Cn1c(CO)cnc1SCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
The InChIKey is CBFLNDHQJUDXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-15-11(7-16)6-14-12(15)17-8-9-2-4-10(13)5-3-9/h2-6,16H,7-8H2,1H3.
What are the key properties of [2-[(4-fluorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
[2-[(4-fluorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol has a molecular weight of 252.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol is sourced from PubChem (CID 2774447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).