1-(cyclobutylmethyl)-2-thiophen-2-ylimidazole

C12H14N2S — CID 115917906

IUPAC1-(cyclobutylmethyl)-2-thiophen-2-ylimidazole
SMILESc1csc(-c2nccn2CC2CCC2)c1
InChIInChI=1S/C12H14N2S/c1-3-10(4-1)9-14-7-6-13-12(14)11-5-2-8-15-11/h2,5-8,10H,1,3-4,9H2
InChIKeyBZTOLONPMQBDJH-UHFFFAOYSA-N
MW218.33 g/mol
LogP3.41
Rot. Bonds3

About 1-(cyclobutylmethyl)-2-thiophen-2-ylimidazole

1-(cyclobutylmethyl)-2-thiophen-2-ylimidazole (PubChem CID 115917906) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-thiophen-2-ylimidazole.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-thiophen-2-ylimidazole
PubChem CID115917906
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name1-(cyclobutylmethyl)-2-thiophen-2-ylimidazole
SMILESc1csc(-c2nccn2CC2CCC2)c1
InChIInChI=1S/C12H14N2S/c1-3-10(4-1)9-14-7-6-13-12(14)11-5-2-8-15-11/h2,5-8,10H,1,3-4,9H2
InChIKeyBZTOLONPMQBDJH-UHFFFAOYSA-N
XLogP3.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(pyrrolidin-3-ylmethyl)-2-thiophen-2-ylimidazole
CID 62371626
3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]piperidine
CID 62358053
N-(cyclopropylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine
CID 62567030
5-[(2-thiophen-2-ylimidazol-1-yl)methyl]oxolane-2-carboxylic acid
CID 62300468
N-[3-(2-thiophen-2-ylimidazol-1-yl)propyl]cyclohexanamine
CID 62565929
4-[1-(cyclobutylmethyl)imidazol-2-yl]aniline
CID 65458282
1-(6-chlorohexyl)-2-thiophen-2-ylimidazole
CID 55053624
1-[(E)-but-2-enyl]-2-thiophen-2-ylimidazole
CID 116621633
1-[(2,6-dimethylphenyl)methyl]-2-thiophen-2-ylimidazole
CID 115917901
1-(cyclopentylmethyl)-2-(2,6-dichlorophenyl)imidazole
CID 165428017
N-(oxolan-3-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanamine
CID 62567422
1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylimidazole
CID 116621535

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-thiophen-2-ylimidazole?
The IUPAC name of 1-(cyclobutylmethyl)-2-thiophen-2-ylimidazole (CID 115917906) is 1-(cyclobutylmethyl)-2-thiophen-2-ylimidazole.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-thiophen-2-ylimidazole?
The canonical SMILES for 1-(cyclobutylmethyl)-2-thiophen-2-ylimidazole is c1csc(-c2nccn2CC2CCC2)c1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-thiophen-2-ylimidazole?
The InChIKey is BZTOLONPMQBDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-3-10(4-1)9-14-7-6-13-12(14)11-5-2-8-15-11/h2,5-8,10H,1,3-4,9H2.
What are the key properties of 1-(cyclobutylmethyl)-2-thiophen-2-ylimidazole?
1-(cyclobutylmethyl)-2-thiophen-2-ylimidazole has a molecular weight of 218.33 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-thiophen-2-ylimidazole is sourced from PubChem (CID 115917906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).