1-(6-fluoro-1-benzothiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol

C15H15FN2OS — CID 115837986

IUPAC1-(6-fluoro-1-benzothiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
SMILESCn1ccnc1CCC(O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H15FN2OS/c1-18-7-6-17-15(18)5-4-12(19)14-8-10-2-3-11(16)9-13(10)20-14/h2-3,6-9,12,19H,4-5H2,1H3
InChIKeyAYNLNVYDSBTRPY-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.44
Rot. Bonds4

About 1-(6-fluoro-1-benzothiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol

1-(6-fluoro-1-benzothiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol (PubChem CID 115837986) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
PubChem CID115837986
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name1-(6-fluoro-1-benzothiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
SMILESCn1ccnc1CCC(O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H15FN2OS/c1-18-7-6-17-15(18)5-4-12(19)14-8-10-2-3-11(16)9-13(10)20-14/h2-3,6-9,12,19H,4-5H2,1H3
InChIKeyAYNLNVYDSBTRPY-UHFFFAOYSA-N
XLogP3.44
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol (CID 115837986) is 1-(6-fluoro-1-benzothiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol is Cn1ccnc1CCC(O)c1cc2ccc(F)cc2s1.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The InChIKey is AYNLNVYDSBTRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-18-7-6-17-15(18)5-4-12(19)14-8-10-2-3-11(16)9-13(10)20-14/h2-3,6-9,12,19H,4-5H2,1H3.
What are the key properties of 1-(6-fluoro-1-benzothiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol?
1-(6-fluoro-1-benzothiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol has a molecular weight of 290.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-benzothiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 115837986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).