2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-2-amine

C11H15N3S — CID 79811188

IUPAC2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-2-amine
SMILESCCC(C)(N)c1ncc(-c2cccs2)[nH]1
InChIInChI=1S/C11H15N3S/c1-3-11(2,12)10-13-7-8(14-10)9-5-4-6-15-9/h4-7H,3,12H2,1-2H3,(H,13,14)
InChIKeyNCRSKYVZLFBKDK-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.72
Rot. Bonds3

About 2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-2-amine

2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-2-amine (PubChem CID 79811188) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-2-amine
PubChem CID79811188
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-2-amine
SMILESCCC(C)(N)c1ncc(-c2cccs2)[nH]1
InChIInChI=1S/C11H15N3S/c1-3-11(2,12)10-13-7-8(14-10)9-5-4-6-15-9/h4-7H,3,12H2,1-2H3,(H,13,14)
InChIKeyNCRSKYVZLFBKDK-UHFFFAOYSA-N
XLogP2.72
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-2-amine?
The IUPAC name of 2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-2-amine (CID 79811188) is 2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-2-amine.
What is the SMILES notation for 2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-2-amine?
The canonical SMILES for 2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-2-amine is CCC(C)(N)c1ncc(-c2cccs2)[nH]1.
What is the InChIKey of 2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-2-amine?
The InChIKey is NCRSKYVZLFBKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-3-11(2,12)10-13-7-8(14-10)9-5-4-6-15-9/h4-7H,3,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-2-amine?
2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-2-amine has a molecular weight of 221.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-2-amine is sourced from PubChem (CID 79811188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).