1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanol

C16H17FN2OS — CID 115821037

IUPAC1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1CC(O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C16H17FN2OS/c1-2-6-19-7-5-18-16(19)10-13(20)15-8-11-3-4-12(17)9-14(11)21-15/h3-5,7-9,13,20H,2,6,10H2,1H3
InChIKeyRLMUAQXIHYFZQQ-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.92
Rot. Bonds5

About 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanol

1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanol (PubChem CID 115821037) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanol
PubChem CID115821037
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1CC(O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C16H17FN2OS/c1-2-6-19-7-5-18-16(19)10-13(20)15-8-11-3-4-12(17)9-14(11)21-15/h3-5,7-9,13,20H,2,6,10H2,1H3
InChIKeyRLMUAQXIHYFZQQ-UHFFFAOYSA-N
XLogP3.92
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.92
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)-2-(1-propylimidazol-2-yl)ethanol?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanol (CID 115821037) is 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanol is CCCn1ccnc1CC(O)c1cc2ccc(F)cc2s1.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanol?
The InChIKey is RLMUAQXIHYFZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-2-6-19-7-5-18-16(19)10-13(20)15-8-11-3-4-12(17)9-14(11)21-15/h3-5,7-9,13,20H,2,6,10H2,1H3.
What are the key properties of 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanol?
1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanol has a molecular weight of 304.39 g/mol, XLogP of 3.92, 5 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)-2-(1-propylimidazol-2-yl)ethanol is sourced from PubChem (CID 115821037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).