3-imidazol-1-ylthiophene-2-carbaldehyde

C8H6N2OS — CID 55254165

IUPAC3-imidazol-1-ylthiophene-2-carbaldehyde
SMILESO=Cc1sccc1-n1ccnc1
InChIInChI=1S/C8H6N2OS/c11-5-8-7(1-4-12-8)10-3-2-9-6-10/h1-6H
InChIKeyMYMCCORSSPUXAV-UHFFFAOYSA-N
MW178.22 g/mol
LogP1.75
Rot. Bonds2

About 3-imidazol-1-ylthiophene-2-carbaldehyde

3-imidazol-1-ylthiophene-2-carbaldehyde (PubChem CID 55254165) has the molecular formula C8H6N2OS and a molecular weight of 178.22 g/mol. Its IUPAC name is 3-imidazol-1-ylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-imidazol-1-ylthiophene-2-carbaldehyde
PubChem CID55254165
Molecular FormulaC8H6N2OS
Molecular Weight178.22 g/mol
Exact Mass178.02
IUPAC Name3-imidazol-1-ylthiophene-2-carbaldehyde
SMILESO=Cc1sccc1-n1ccnc1
InChIInChI=1S/C8H6N2OS/c11-5-8-7(1-4-12-8)10-3-2-9-6-10/h1-6H
InChIKeyMYMCCORSSPUXAV-UHFFFAOYSA-N
XLogP1.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 51.75
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-methylthiophen-3-yl)imidazole
CID 123164453
3-chloro-4-imidazol-1-ylbenzaldehyde
CID 23629424
2-imidazol-1-yl-5-methoxybenzaldehyde
CID 84670593
2-imidazol-1-ylpyridine-3-carbaldehyde
CID 55253673
(E)-1-(4-imidazol-1-ylphenyl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one
CID 17022741
5,8-di(imidazol-1-yl)quinoxaline
CID 132507181
1-[2,3-di(imidazol-1-yl)phenyl]imidazole
CID 141435532
3-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)thiophene-2-carbaldehyde
CID 18696623
1-(2-imidazol-1-ylphenyl)pyrazole
CID 125480234
3,4-di(imidazol-1-yl)aniline
CID 129289428
2-imidazol-1-ylaniline;dihydrochloride
CID 46786017
4-bromo-3-imidazol-1-ylpyridine
CID 84688960

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-ylthiophene-2-carbaldehyde?
The IUPAC name of 3-imidazol-1-ylthiophene-2-carbaldehyde (CID 55254165) is 3-imidazol-1-ylthiophene-2-carbaldehyde.
What is the SMILES notation for 3-imidazol-1-ylthiophene-2-carbaldehyde?
The canonical SMILES for 3-imidazol-1-ylthiophene-2-carbaldehyde is O=Cc1sccc1-n1ccnc1.
What is the InChIKey of 3-imidazol-1-ylthiophene-2-carbaldehyde?
The InChIKey is MYMCCORSSPUXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS/c11-5-8-7(1-4-12-8)10-3-2-9-6-10/h1-6H.
What are the key properties of 3-imidazol-1-ylthiophene-2-carbaldehyde?
3-imidazol-1-ylthiophene-2-carbaldehyde has a molecular weight of 178.22 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-ylthiophene-2-carbaldehyde is sourced from PubChem (CID 55254165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).