1-methyl-4-thiophen-3-ylimidazole-2-carbaldehyde

C9H8N2OS — CID 87327068

IUPAC1-methyl-4-thiophen-3-ylimidazole-2-carbaldehyde
SMILESCn1cc(-c2ccsc2)nc1C=O
InChIInChI=1S/C9H8N2OS/c1-11-4-8(10-9(11)5-12)7-2-3-13-6-7/h2-6H,1H3
InChIKeyIGIABCNNNMNBHC-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.96
Rot. Bonds2

About 1-methyl-4-thiophen-3-ylimidazole-2-carbaldehyde

1-methyl-4-thiophen-3-ylimidazole-2-carbaldehyde (PubChem CID 87327068) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 1-methyl-4-thiophen-3-ylimidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-methyl-4-thiophen-3-ylimidazole-2-carbaldehyde
PubChem CID87327068
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name1-methyl-4-thiophen-3-ylimidazole-2-carbaldehyde
SMILESCn1cc(-c2ccsc2)nc1C=O
InChIInChI=1S/C9H8N2OS/c1-11-4-8(10-9(11)5-12)7-2-3-13-6-7/h2-6H,1H3
InChIKeyIGIABCNNNMNBHC-UHFFFAOYSA-N
XLogP1.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-thiophen-3-ylimidazole-2-carbaldehyde?
The IUPAC name of 1-methyl-4-thiophen-3-ylimidazole-2-carbaldehyde (CID 87327068) is 1-methyl-4-thiophen-3-ylimidazole-2-carbaldehyde.
What is the SMILES notation for 1-methyl-4-thiophen-3-ylimidazole-2-carbaldehyde?
The canonical SMILES for 1-methyl-4-thiophen-3-ylimidazole-2-carbaldehyde is Cn1cc(-c2ccsc2)nc1C=O.
What is the InChIKey of 1-methyl-4-thiophen-3-ylimidazole-2-carbaldehyde?
The InChIKey is IGIABCNNNMNBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-11-4-8(10-9(11)5-12)7-2-3-13-6-7/h2-6H,1H3.
What are the key properties of 1-methyl-4-thiophen-3-ylimidazole-2-carbaldehyde?
1-methyl-4-thiophen-3-ylimidazole-2-carbaldehyde has a molecular weight of 192.24 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-thiophen-3-ylimidazole-2-carbaldehyde is sourced from PubChem (CID 87327068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).