5-methyl-4-thiophen-3-yl-1H-imidazole-2-carbaldehyde

C9H8N2OS — CID 123356431

IUPAC5-methyl-4-thiophen-3-yl-1H-imidazole-2-carbaldehyde
SMILESCc1[nH]c(C=O)nc1-c1ccsc1
InChIInChI=1S/C9H8N2OS/c1-6-9(7-2-3-13-5-7)11-8(4-12)10-6/h2-5H,1H3,(H,10,11)
InChIKeyLXOARSZMZWTEFJ-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.26
Rot. Bonds2

About 5-methyl-4-thiophen-3-yl-1H-imidazole-2-carbaldehyde

5-methyl-4-thiophen-3-yl-1H-imidazole-2-carbaldehyde (PubChem CID 123356431) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 5-methyl-4-thiophen-3-yl-1H-imidazole-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-4-thiophen-3-yl-1H-imidazole-2-carbaldehyde
PubChem CID123356431
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name5-methyl-4-thiophen-3-yl-1H-imidazole-2-carbaldehyde
SMILESCc1[nH]c(C=O)nc1-c1ccsc1
InChIInChI=1S/C9H8N2OS/c1-6-9(7-2-3-13-5-7)11-8(4-12)10-6/h2-5H,1H3,(H,10,11)
InChIKeyLXOARSZMZWTEFJ-UHFFFAOYSA-N
XLogP2.26
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-thiophen-3-yl-1H-imidazole-2-carbaldehyde?
The IUPAC name of 5-methyl-4-thiophen-3-yl-1H-imidazole-2-carbaldehyde (CID 123356431) is 5-methyl-4-thiophen-3-yl-1H-imidazole-2-carbaldehyde.
What is the SMILES notation for 5-methyl-4-thiophen-3-yl-1H-imidazole-2-carbaldehyde?
The canonical SMILES for 5-methyl-4-thiophen-3-yl-1H-imidazole-2-carbaldehyde is Cc1[nH]c(C=O)nc1-c1ccsc1.
What is the InChIKey of 5-methyl-4-thiophen-3-yl-1H-imidazole-2-carbaldehyde?
The InChIKey is LXOARSZMZWTEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-6-9(7-2-3-13-5-7)11-8(4-12)10-6/h2-5H,1H3,(H,10,11).
What are the key properties of 5-methyl-4-thiophen-3-yl-1H-imidazole-2-carbaldehyde?
5-methyl-4-thiophen-3-yl-1H-imidazole-2-carbaldehyde has a molecular weight of 192.24 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-thiophen-3-yl-1H-imidazole-2-carbaldehyde is sourced from PubChem (CID 123356431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).