1-cyclopropyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]ethanamine

C13H17N3S — CID 54925040

IUPAC1-cyclopropyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]ethanamine
SMILESCc1ccc(-c2cnc(C(C)(N)C3CC3)[nH]2)s1
InChIInChI=1S/C13H17N3S/c1-8-3-6-11(17-8)10-7-15-12(16-10)13(2,14)9-4-5-9/h3,6-7,9H,4-5,14H2,1-2H3,(H,15,16)
InChIKeyZHAYRNCDGDUFQP-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.03
Rot. Bonds3

About 1-cyclopropyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]ethanamine

1-cyclopropyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]ethanamine (PubChem CID 54925040) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 1-cyclopropyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]ethanamine
PubChem CID54925040
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name1-cyclopropyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]ethanamine
SMILESCc1ccc(-c2cnc(C(C)(N)C3CC3)[nH]2)s1
InChIInChI=1S/C13H17N3S/c1-8-3-6-11(17-8)10-7-15-12(16-10)13(2,14)9-4-5-9/h3,6-7,9H,4-5,14H2,1-2H3,(H,15,16)
InChIKeyZHAYRNCDGDUFQP-UHFFFAOYSA-N
XLogP3.03
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]ethanamine?
The IUPAC name of 1-cyclopropyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]ethanamine (CID 54925040) is 1-cyclopropyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for 1-cyclopropyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]ethanamine is Cc1ccc(-c2cnc(C(C)(N)C3CC3)[nH]2)s1.
What is the InChIKey of 1-cyclopropyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]ethanamine?
The InChIKey is ZHAYRNCDGDUFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-8-3-6-11(17-8)10-7-15-12(16-10)13(2,14)9-4-5-9/h3,6-7,9H,4-5,14H2,1-2H3,(H,15,16).
What are the key properties of 1-cyclopropyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]ethanamine?
1-cyclopropyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]ethanamine has a molecular weight of 247.37 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 54925040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).