1-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]butan-2-amine

C13H19N3S — CID 55235170

IUPAC1-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]butan-2-amine
SMILESCCC(N)Cc1nccn1CCc1cccs1
InChIInChI=1S/C13H19N3S/c1-2-11(14)10-13-15-6-8-16(13)7-5-12-4-3-9-17-12/h3-4,6,8-9,11H,2,5,7,10,14H2,1H3
InChIKeyFAQFUPBLKZKYIB-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.47
Rot. Bonds6

About 1-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]butan-2-amine

1-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]butan-2-amine (PubChem CID 55235170) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]butan-2-amine
PubChem CID55235170
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name1-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]butan-2-amine
SMILESCCC(N)Cc1nccn1CCc1cccs1
InChIInChI=1S/C13H19N3S/c1-2-11(14)10-13-15-6-8-16(13)7-5-12-4-3-9-17-12/h3-4,6,8-9,11H,2,5,7,10,14H2,1H3
InChIKeyFAQFUPBLKZKYIB-UHFFFAOYSA-N
XLogP2.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]ethanamine
CID 63773737
2-methylsulfonyl-1-(2-thiophen-2-ylethyl)imidazole
CID 82132226
1-(1-decylimidazol-2-yl)butan-2-amine
CID 63095303
1-[1-(2-thiophen-2-ylethyl)indol-6-yl]butan-2-amine
CID 102917962
1-[1-(2-thiophen-2-ylethyl)indol-5-yl]butan-2-amine
CID 102917638
1-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]butan-2-amine
CID 103015060
1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]butan-2-amine
CID 63097057
1-[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]butan-2-amine
CID 55181842
1-[1-(2,2-difluoroethyl)imidazol-2-yl]butan-2-amine
CID 82009899
1-[1-[(2-methylphenyl)methyl]imidazol-2-yl]butan-2-amine
CID 55181659
2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanamine
CID 94691066
1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-ol
CID 105113589

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]butan-2-amine?
The IUPAC name of 1-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]butan-2-amine (CID 55235170) is 1-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]butan-2-amine?
The canonical SMILES for 1-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]butan-2-amine is CCC(N)Cc1nccn1CCc1cccs1.
What is the InChIKey of 1-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]butan-2-amine?
The InChIKey is FAQFUPBLKZKYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-2-11(14)10-13-15-6-8-16(13)7-5-12-4-3-9-17-12/h3-4,6,8-9,11H,2,5,7,10,14H2,1H3.
What are the key properties of 1-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]butan-2-amine?
1-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]butan-2-amine has a molecular weight of 249.38 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]butan-2-amine is sourced from PubChem (CID 55235170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).