1-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-3-(4-fluorophenoxy)propan-2-ol

C19H25FN2O2S — CID 18280457

IUPAC1-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-3-(4-fluorophenoxy)propan-2-ol
SMILESCc1nc(SCC(O)COc2ccc(F)cc2)n(C2CCCC2)c1C
InChIInChI=1S/C19H25FN2O2S/c1-13-14(2)22(16-5-3-4-6-16)19(21-13)25-12-17(23)11-24-18-9-7-15(20)8-10-18/h7-10,16-17,23H,3-6,11-12H2,1-2H3
InChIKeyNNIRQLOGGUEKQY-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.29
Rot. Bonds7

About 1-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-3-(4-fluorophenoxy)propan-2-ol

1-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-3-(4-fluorophenoxy)propan-2-ol (PubChem CID 18280457) has the molecular formula C19H25FN2O2S and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-3-(4-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-3-(4-fluorophenoxy)propan-2-ol
PubChem CID18280457
Molecular FormulaC19H25FN2O2S
Molecular Weight364.49 g/mol
Exact Mass364.16
IUPAC Name1-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-3-(4-fluorophenoxy)propan-2-ol
SMILESCc1nc(SCC(O)COc2ccc(F)cc2)n(C2CCCC2)c1C
InChIInChI=1S/C19H25FN2O2S/c1-13-14(2)22(16-5-3-4-6-16)19(21-13)25-12-17(23)11-24-18-9-7-15(20)8-10-18/h7-10,16-17,23H,3-6,11-12H2,1-2H3
InChIKeyNNIRQLOGGUEKQY-UHFFFAOYSA-N
XLogP4.29
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-3-(4-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-3-(4-fluorophenoxy)propan-2-ol (CID 18280457) is 1-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-3-(4-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-3-(4-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-3-(4-fluorophenoxy)propan-2-ol is Cc1nc(SCC(O)COc2ccc(F)cc2)n(C2CCCC2)c1C.
What is the InChIKey of 1-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-3-(4-fluorophenoxy)propan-2-ol?
The InChIKey is NNIRQLOGGUEKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2S/c1-13-14(2)22(16-5-3-4-6-16)19(21-13)25-12-17(23)11-24-18-9-7-15(20)8-10-18/h7-10,16-17,23H,3-6,11-12H2,1-2H3.
What are the key properties of 1-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-3-(4-fluorophenoxy)propan-2-ol?
1-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-3-(4-fluorophenoxy)propan-2-ol has a molecular weight of 364.49 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-3-(4-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 18280457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).