N-[1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine

C16H18FN3S — CID 81115344

IUPACN-[1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ncc[nH]1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C16H18FN3S/c1-2-5-18-13(10-16-19-6-7-20-16)15-8-11-3-4-12(17)9-14(11)21-15/h3-4,6-9,13,18H,2,5,10H2,1H3,(H,19,20)
InChIKeyCBRIMHBQJSPOAA-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.05
Rot. Bonds6

About N-[1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine

N-[1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine (PubChem CID 81115344) has the molecular formula C16H18FN3S and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
PubChem CID81115344
Molecular FormulaC16H18FN3S
Molecular Weight303.41 g/mol
Exact Mass303.12
IUPAC NameN-[1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ncc[nH]1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C16H18FN3S/c1-2-5-18-13(10-16-19-6-7-20-16)15-8-11-3-4-12(17)9-14(11)21-15/h3-4,6-9,13,18H,2,5,10H2,1H3,(H,19,20)
InChIKeyCBRIMHBQJSPOAA-UHFFFAOYSA-N
XLogP4.05
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethanol
CID 81104324
4,4,4-trifluoro-1-(6-fluoro-1-benzothiophen-2-yl)-N-propylbutan-1-amine
CID 104992759
N-[2-(1H-imidazol-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethyl]propan-1-amine
CID 43497966
N-[1-(4-chloro-2-fluorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43498011
N-[1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43498005
N-[1-(2,6-dichlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43498082
N-[1-(2,5-dibromothiophen-3-yl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 114021154
N-[(6-fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858572
N-[1-(4-bromo-2-methylphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43629894
N-[1-(2-fluoro-4-methoxyphenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 102882783
N-[1-(2,4-dibromophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 107950457
N-[1-(3-chlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43498055

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine (CID 81115344) is N-[1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ncc[nH]1)c1cc2ccc(F)cc2s1.
What is the InChIKey of N-[1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is CBRIMHBQJSPOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3S/c1-2-5-18-13(10-16-19-6-7-20-16)15-8-11-3-4-12(17)9-14(11)21-15/h3-4,6-9,13,18H,2,5,10H2,1H3,(H,19,20).
What are the key properties of N-[1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine?
N-[1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 303.41 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 81115344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).