4-[1-(5-thiophen-2-ylimidazol-1-yl)ethyl]aniline

C15H15N3S — CID 116650722

IUPAC4-[1-(5-thiophen-2-ylimidazol-1-yl)ethyl]aniline
SMILESCC(c1ccc(N)cc1)n1cncc1-c1cccs1
InChIInChI=1S/C15H15N3S/c1-11(12-4-6-13(16)7-5-12)18-10-17-9-14(18)15-3-2-8-19-15/h2-11H,16H2,1H3
InChIKeyIJRDRHLMLBFTQA-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.80
Rot. Bonds3

About 4-[1-(5-thiophen-2-ylimidazol-1-yl)ethyl]aniline

4-[1-(5-thiophen-2-ylimidazol-1-yl)ethyl]aniline (PubChem CID 116650722) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-[1-(5-thiophen-2-ylimidazol-1-yl)ethyl]aniline.

Molecular Properties

Compound Name4-[1-(5-thiophen-2-ylimidazol-1-yl)ethyl]aniline
PubChem CID116650722
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name4-[1-(5-thiophen-2-ylimidazol-1-yl)ethyl]aniline
SMILESCC(c1ccc(N)cc1)n1cncc1-c1cccs1
InChIInChI=1S/C15H15N3S/c1-11(12-4-6-13(16)7-5-12)18-10-17-9-14(18)15-3-2-8-19-15/h2-11H,16H2,1H3
InChIKeyIJRDRHLMLBFTQA-UHFFFAOYSA-N
XLogP3.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-5-thiophen-2-ylimidazole
CID 11413496
3-[3-(1-thiophen-3-ylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720041
3-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]pyridin-2-amine
CID 114717857
1-(2-methoxyphenyl)-5-thiophen-2-ylimidazole
CID 159345330
formic acid;3-[1-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine
CID 163338192
4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62733759
4-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline
CID 61261654
2-(4-propan-2-ylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine
CID 126550812
[1-[1-(4-aminophenyl)ethyl]imidazol-2-yl]methanol
CID 171801080
3-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]pyridin-2-amine
CID 114719040
(1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine
CID 104943181
4-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]pyridin-2-amine
CID 114717900

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-thiophen-2-ylimidazol-1-yl)ethyl]aniline?
The IUPAC name of 4-[1-(5-thiophen-2-ylimidazol-1-yl)ethyl]aniline (CID 116650722) is 4-[1-(5-thiophen-2-ylimidazol-1-yl)ethyl]aniline.
What is the SMILES notation for 4-[1-(5-thiophen-2-ylimidazol-1-yl)ethyl]aniline?
The canonical SMILES for 4-[1-(5-thiophen-2-ylimidazol-1-yl)ethyl]aniline is CC(c1ccc(N)cc1)n1cncc1-c1cccs1.
What is the InChIKey of 4-[1-(5-thiophen-2-ylimidazol-1-yl)ethyl]aniline?
The InChIKey is IJRDRHLMLBFTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-11(12-4-6-13(16)7-5-12)18-10-17-9-14(18)15-3-2-8-19-15/h2-11H,16H2,1H3.
What are the key properties of 4-[1-(5-thiophen-2-ylimidazol-1-yl)ethyl]aniline?
4-[1-(5-thiophen-2-ylimidazol-1-yl)ethyl]aniline has a molecular weight of 269.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-thiophen-2-ylimidazol-1-yl)ethyl]aniline is sourced from PubChem (CID 116650722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).