1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine

C13H19N3S — CID 63990889

IUPAC1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine
SMILESCCCCC(N)c1ncc(-c2sccc2C)[nH]1
InChIInChI=1S/C13H19N3S/c1-3-4-5-10(14)13-15-8-11(16-13)12-9(2)6-7-17-12/h6-8,10H,3-5,14H2,1-2H3,(H,15,16)
InChIKeyDPSPPWUOQYHZCZ-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.64
Rot. Bonds5

About 1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine

1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine (PubChem CID 63990889) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine.

Molecular Properties

Compound Name1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine
PubChem CID63990889
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine
SMILESCCCCC(N)c1ncc(-c2sccc2C)[nH]1
InChIInChI=1S/C13H19N3S/c1-3-4-5-10(14)13-15-8-11(16-13)12-9(2)6-7-17-12/h6-8,10H,3-5,14H2,1-2H3,(H,15,16)
InChIKeyDPSPPWUOQYHZCZ-UHFFFAOYSA-N
XLogP3.64
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine?
The IUPAC name of 1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine (CID 63990889) is 1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine.
What is the SMILES notation for 1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine?
The canonical SMILES for 1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine is CCCCC(N)c1ncc(-c2sccc2C)[nH]1.
What is the InChIKey of 1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine?
The InChIKey is DPSPPWUOQYHZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-3-4-5-10(14)13-15-8-11(16-13)12-9(2)6-7-17-12/h6-8,10H,3-5,14H2,1-2H3,(H,15,16).
What are the key properties of 1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine?
1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine is sourced from PubChem (CID 63990889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).