3-(2-thiophen-3-ylethyl)imidazole-4-carbaldehyde

C10H10N2OS — CID 66146790

IUPAC3-(2-thiophen-3-ylethyl)imidazole-4-carbaldehyde
SMILESO=Cc1cncn1CCc1ccsc1
InChIInChI=1S/C10H10N2OS/c13-6-10-5-11-8-12(10)3-1-9-2-4-14-7-9/h2,4-8H,1,3H2
InChIKeyVDPIMRALTSIQNW-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.00
Rot. Bonds4

About 3-(2-thiophen-3-ylethyl)imidazole-4-carbaldehyde

3-(2-thiophen-3-ylethyl)imidazole-4-carbaldehyde (PubChem CID 66146790) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 3-(2-thiophen-3-ylethyl)imidazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(2-thiophen-3-ylethyl)imidazole-4-carbaldehyde
PubChem CID66146790
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name3-(2-thiophen-3-ylethyl)imidazole-4-carbaldehyde
SMILESO=Cc1cncn1CCc1ccsc1
InChIInChI=1S/C10H10N2OS/c13-6-10-5-11-8-12(10)3-1-9-2-4-14-7-9/h2,4-8H,1,3H2
InChIKeyVDPIMRALTSIQNW-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

3-(thiophen-3-ylmethyl)imidazole-4-carbaldehyde
CID 66146798
phenyl-[3-(2-thiophen-3-ylethyl)imidazol-4-yl]methanamine
CID 114705145
3-(2-pyrrolidin-1-ylethyl)imidazole-4-carbaldehyde
CID 66145744
3-(3-methoxypropyl)imidazole-4-carbaldehyde
CID 66146994
5-(5-formylimidazol-1-yl)pentanamide
CID 106240891
3-(1,3-thiazol-2-ylmethyl)imidazole-4-carbaldehyde
CID 66148041
1-methyl-5-(thiophen-3-ylmethyl)imidazole
CID 59037611
N-methyl-1-(2-thiophen-3-ylethyl)imidazol-2-amine
CID 106567511
N-methyl-1-[3-(thiophen-3-ylmethyl)imidazol-4-yl]methanamine
CID 66150778
2-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]acetic acid
CID 64618528
4-methyl-1-(2-thiophen-3-ylethyl)pyrazole
CID 130610558
5-thiophen-3-ylpentanal
CID 15807672

Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-3-ylethyl)imidazole-4-carbaldehyde?
The IUPAC name of 3-(2-thiophen-3-ylethyl)imidazole-4-carbaldehyde (CID 66146790) is 3-(2-thiophen-3-ylethyl)imidazole-4-carbaldehyde.
What is the SMILES notation for 3-(2-thiophen-3-ylethyl)imidazole-4-carbaldehyde?
The canonical SMILES for 3-(2-thiophen-3-ylethyl)imidazole-4-carbaldehyde is O=Cc1cncn1CCc1ccsc1.
What is the InChIKey of 3-(2-thiophen-3-ylethyl)imidazole-4-carbaldehyde?
The InChIKey is VDPIMRALTSIQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c13-6-10-5-11-8-12(10)3-1-9-2-4-14-7-9/h2,4-8H,1,3H2.
What are the key properties of 3-(2-thiophen-3-ylethyl)imidazole-4-carbaldehyde?
3-(2-thiophen-3-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 3-(2-thiophen-3-ylethyl)imidazole-4-carbaldehyde is sourced from PubChem (CID 66146790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).