1-[(E)-but-2-enyl]-2-thiophen-2-ylimidazole

C11H12N2S — CID 116621633

IUPAC1-[(E)-but-2-enyl]-2-thiophen-2-ylimidazole
SMILESC/C=C/Cn1ccnc1-c1cccs1
InChIInChI=1S/C11H12N2S/c1-2-3-7-13-8-6-12-11(13)10-5-4-9-14-10/h2-6,8-9H,7H2,1H3/b3-2+
InChIKeyRHGMRXCTTPRWQN-NSCUHMNNSA-N
MW204.30 g/mol
LogP3.19
Rot. Bonds3

About 1-[(E)-but-2-enyl]-2-thiophen-2-ylimidazole

1-[(E)-but-2-enyl]-2-thiophen-2-ylimidazole (PubChem CID 116621633) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-2-thiophen-2-ylimidazole.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-2-thiophen-2-ylimidazole
PubChem CID116621633
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name1-[(E)-but-2-enyl]-2-thiophen-2-ylimidazole
SMILESC/C=C/Cn1ccnc1-c1cccs1
InChIInChI=1S/C11H12N2S/c1-2-3-7-13-8-6-12-11(13)10-5-4-9-14-10/h2-6,8-9H,7H2,1H3/b3-2+
InChIKeyRHGMRXCTTPRWQN-NSCUHMNNSA-N
XLogP3.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-2-thiophen-2-ylimidazole?
The IUPAC name of 1-[(E)-but-2-enyl]-2-thiophen-2-ylimidazole (CID 116621633) is 1-[(E)-but-2-enyl]-2-thiophen-2-ylimidazole.
What is the SMILES notation for 1-[(E)-but-2-enyl]-2-thiophen-2-ylimidazole?
The canonical SMILES for 1-[(E)-but-2-enyl]-2-thiophen-2-ylimidazole is C/C=C/Cn1ccnc1-c1cccs1.
What is the InChIKey of 1-[(E)-but-2-enyl]-2-thiophen-2-ylimidazole?
The InChIKey is RHGMRXCTTPRWQN-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H12N2S/c1-2-3-7-13-8-6-12-11(13)10-5-4-9-14-10/h2-6,8-9H,7H2,1H3/b3-2+.
What are the key properties of 1-[(E)-but-2-enyl]-2-thiophen-2-ylimidazole?
1-[(E)-but-2-enyl]-2-thiophen-2-ylimidazole has a molecular weight of 204.30 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-2-thiophen-2-ylimidazole is sourced from PubChem (CID 116621633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).