1-(3-methylbut-3-enyl)-2-thiophen-2-ylimidazole

C12H14N2S — CID 114476766

IUPAC1-(3-methylbut-3-enyl)-2-thiophen-2-ylimidazole
SMILESC=C(C)CCn1ccnc1-c1cccs1
InChIInChI=1S/C12H14N2S/c1-10(2)5-7-14-8-6-13-12(14)11-4-3-9-15-11/h3-4,6,8-9H,1,5,7H2,2H3
InChIKeyWFIVBMXHESYYBA-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.58
Rot. Bonds4

About 1-(3-methylbut-3-enyl)-2-thiophen-2-ylimidazole

1-(3-methylbut-3-enyl)-2-thiophen-2-ylimidazole (PubChem CID 114476766) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-(3-methylbut-3-enyl)-2-thiophen-2-ylimidazole.

Molecular Properties

Compound Name1-(3-methylbut-3-enyl)-2-thiophen-2-ylimidazole
PubChem CID114476766
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name1-(3-methylbut-3-enyl)-2-thiophen-2-ylimidazole
SMILESC=C(C)CCn1ccnc1-c1cccs1
InChIInChI=1S/C12H14N2S/c1-10(2)5-7-14-8-6-13-12(14)11-4-3-9-15-11/h3-4,6,8-9H,1,5,7H2,2H3
InChIKeyWFIVBMXHESYYBA-UHFFFAOYSA-N
XLogP3.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylsulfonylethyl)-2-thiophen-2-ylimidazole
CID 75432637
6-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol
CID 113353810
1-heptyl-2-thiophen-2-ylimidazole
CID 116621595
N,N-dimethyl-4-(2-thiophen-2-ylimidazol-1-yl)butanamide
CID 116621663
1-(4-methylpentyl)-2-thiophen-2-ylimidazole
CID 116621649
2,2-dimethyl-4-(2-thiophen-2-ylimidazol-1-yl)butanenitrile
CID 65256857
1-[(E)-but-2-enyl]-2-thiophen-2-ylimidazole
CID 116621633
1-(6-chlorohexyl)-2-thiophen-2-ylimidazole
CID 55053624
3-methyl-4-(2-thiophen-2-ylimidazol-1-yl)but-2-enoic acid
CID 76975064
1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylimidazole
CID 116621535
N-tert-butyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]prop-2-en-1-amine
CID 103072252
1-(2-propan-2-ylsulfonylethyl)-2-thiophen-2-ylimidazole
CID 106731651

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-3-enyl)-2-thiophen-2-ylimidazole?
The IUPAC name of 1-(3-methylbut-3-enyl)-2-thiophen-2-ylimidazole (CID 114476766) is 1-(3-methylbut-3-enyl)-2-thiophen-2-ylimidazole.
What is the SMILES notation for 1-(3-methylbut-3-enyl)-2-thiophen-2-ylimidazole?
The canonical SMILES for 1-(3-methylbut-3-enyl)-2-thiophen-2-ylimidazole is C=C(C)CCn1ccnc1-c1cccs1.
What is the InChIKey of 1-(3-methylbut-3-enyl)-2-thiophen-2-ylimidazole?
The InChIKey is WFIVBMXHESYYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-10(2)5-7-14-8-6-13-12(14)11-4-3-9-15-11/h3-4,6,8-9H,1,5,7H2,2H3.
What are the key properties of 1-(3-methylbut-3-enyl)-2-thiophen-2-ylimidazole?
1-(3-methylbut-3-enyl)-2-thiophen-2-ylimidazole has a molecular weight of 218.32 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-3-enyl)-2-thiophen-2-ylimidazole is sourced from PubChem (CID 114476766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).