1-(2-thiophen-2-ylethyl)imidazole-4-carbaldehyde

C10H10N2OS — CID 106716533

IUPAC1-(2-thiophen-2-ylethyl)imidazole-4-carbaldehyde
SMILESO=Cc1cn(CCc2cccs2)cn1
InChIInChI=1S/C10H10N2OS/c13-7-9-6-12(8-11-9)4-3-10-2-1-5-14-10/h1-2,5-8H,3-4H2
InChIKeyHSUPRYFFMUJXOL-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.00
Rot. Bonds4

About 1-(2-thiophen-2-ylethyl)imidazole-4-carbaldehyde

1-(2-thiophen-2-ylethyl)imidazole-4-carbaldehyde (PubChem CID 106716533) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-(2-thiophen-2-ylethyl)imidazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(2-thiophen-2-ylethyl)imidazole-4-carbaldehyde
PubChem CID106716533
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name1-(2-thiophen-2-ylethyl)imidazole-4-carbaldehyde
SMILESO=Cc1cn(CCc2cccs2)cn1
InChIInChI=1S/C10H10N2OS/c13-7-9-6-12(8-11-9)4-3-10-2-1-5-14-10/h1-2,5-8H,3-4H2
InChIKeyHSUPRYFFMUJXOL-UHFFFAOYSA-N
XLogP2.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
2-[1-(2-thiophen-2-ylethyl)imidazol-4-yl]acetic acid
CID 82476422
6-chloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one
CID 114582136
5,6-dichloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one
CID 114583003
1-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)imidazole-4-carboxamide
CID 107499201
4-methyl-2-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-one
CID 86797131
1-(2-propylsulfonylethyl)imidazole-4-carbaldehyde
CID 106716663
5,6-difluoro-1-(2-thiophen-2-ylethyl)benzimidazole
CID 113357701
1-(2-thiophen-2-ylethyl)pyrazol-3-amine
CID 63773628
2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]ethanamine
CID 63773737
5-bromo-1-(2-thiophen-2-ylethyl)pyridin-2-one
CID 66308274

Frequently Asked Questions

What is the IUPAC name of 1-(2-thiophen-2-ylethyl)imidazole-4-carbaldehyde?
The IUPAC name of 1-(2-thiophen-2-ylethyl)imidazole-4-carbaldehyde (CID 106716533) is 1-(2-thiophen-2-ylethyl)imidazole-4-carbaldehyde.
What is the SMILES notation for 1-(2-thiophen-2-ylethyl)imidazole-4-carbaldehyde?
The canonical SMILES for 1-(2-thiophen-2-ylethyl)imidazole-4-carbaldehyde is O=Cc1cn(CCc2cccs2)cn1.
What is the InChIKey of 1-(2-thiophen-2-ylethyl)imidazole-4-carbaldehyde?
The InChIKey is HSUPRYFFMUJXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c13-7-9-6-12(8-11-9)4-3-10-2-1-5-14-10/h1-2,5-8H,3-4H2.
What are the key properties of 1-(2-thiophen-2-ylethyl)imidazole-4-carbaldehyde?
1-(2-thiophen-2-ylethyl)imidazole-4-carbaldehyde has a molecular weight of 206.27 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiophen-2-ylethyl)imidazole-4-carbaldehyde is sourced from PubChem (CID 106716533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).