2-[1-(2-thiophen-2-ylethyl)imidazol-4-yl]acetic acid

C11H12N2O2S — CID 82476422

IUPAC2-[1-(2-thiophen-2-ylethyl)imidazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn(CCc2cccs2)cn1
InChIInChI=1S/C11H12N2O2S/c14-11(15)6-9-7-13(8-12-9)4-3-10-2-1-5-16-10/h1-2,5,7-8H,3-4,6H2,(H,14,15)
InChIKeyDFIMZMHEQVIJJJ-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.81
Rot. Bonds5

About 2-[1-(2-thiophen-2-ylethyl)imidazol-4-yl]acetic acid

2-[1-(2-thiophen-2-ylethyl)imidazol-4-yl]acetic acid (PubChem CID 82476422) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-[1-(2-thiophen-2-ylethyl)imidazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-thiophen-2-ylethyl)imidazol-4-yl]acetic acid
PubChem CID82476422
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-[1-(2-thiophen-2-ylethyl)imidazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn(CCc2cccs2)cn1
InChIInChI=1S/C11H12N2O2S/c14-11(15)6-9-7-13(8-12-9)4-3-10-2-1-5-16-10/h1-2,5,7-8H,3-4,6H2,(H,14,15)
InChIKeyDFIMZMHEQVIJJJ-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-thiophen-2-ylethyl)imidazol-4-yl]methanamine
CID 82470461
4-(chloromethyl)-1-(2-thiophen-2-ylethyl)imidazole
CID 106720766
1-(2-thiophen-2-ylethyl)imidazole-4-carbaldehyde
CID 106716533
2-[2-(2-thiophen-2-ylethyl)-1,3-thiazol-4-yl]acetic acid
CID 82088222
benzene;methane;2-thiophen-2-ylacetic acid
CID 70426530
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide;dihydrochloride
CID 119687948
3-[1-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]propanoic acid
CID 98017221
1-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)imidazole-4-carboxamide
CID 107499201
2-[1-(2-fluorophenyl)imidazol-4-yl]acetic acid
CID 82472522
2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid
CID 63775158
2-hydroxyacetic acid;2-(thiophen-2-ylmethyl)thiophene
CID 22416732
1-[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]butan-1-one
CID 79105630

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-thiophen-2-ylethyl)imidazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-thiophen-2-ylethyl)imidazol-4-yl]acetic acid (CID 82476422) is 2-[1-(2-thiophen-2-ylethyl)imidazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-thiophen-2-ylethyl)imidazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-thiophen-2-ylethyl)imidazol-4-yl]acetic acid is O=C(O)Cc1cn(CCc2cccs2)cn1.
What is the InChIKey of 2-[1-(2-thiophen-2-ylethyl)imidazol-4-yl]acetic acid?
The InChIKey is DFIMZMHEQVIJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c14-11(15)6-9-7-13(8-12-9)4-3-10-2-1-5-16-10/h1-2,5,7-8H,3-4,6H2,(H,14,15).
What are the key properties of 2-[1-(2-thiophen-2-ylethyl)imidazol-4-yl]acetic acid?
2-[1-(2-thiophen-2-ylethyl)imidazol-4-yl]acetic acid has a molecular weight of 236.30 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-thiophen-2-ylethyl)imidazol-4-yl]acetic acid is sourced from PubChem (CID 82476422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).