5-(3-thiophen-2-ylbutyl)-1H-imidazole

C11H14N2S — CID 57202794

IUPAC5-(3-thiophen-2-ylbutyl)-1H-imidazole
SMILESCC(CCc1cnc[nH]1)c1cccs1
InChIInChI=1S/C11H14N2S/c1-9(11-3-2-6-14-11)4-5-10-7-12-8-13-10/h2-3,6-9H,4-5H2,1H3,(H,12,13)
InChIKeyGVIDOHQQHHEQRV-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.21
Rot. Bonds4

About 5-(3-thiophen-2-ylbutyl)-1H-imidazole

5-(3-thiophen-2-ylbutyl)-1H-imidazole (PubChem CID 57202794) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 5-(3-thiophen-2-ylbutyl)-1H-imidazole.

Molecular Properties

Compound Name5-(3-thiophen-2-ylbutyl)-1H-imidazole
PubChem CID57202794
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name5-(3-thiophen-2-ylbutyl)-1H-imidazole
SMILESCC(CCc1cnc[nH]1)c1cccs1
InChIInChI=1S/C11H14N2S/c1-9(11-3-2-6-14-11)4-5-10-7-12-8-13-10/h2-3,6-9H,4-5H2,1H3,(H,12,13)
InChIKeyGVIDOHQQHHEQRV-UHFFFAOYSA-N
XLogP3.21
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-imidazol-5-ylmethylamino)-1-thiophen-2-ylethanol
CID 115641917
2-(6-methylheptan-2-yl)thiophene
CID 141463687
N-(1H-imidazol-5-ylmethyl)-2-methyl-3-thiophen-2-ylpropan-1-amine
CID 115655102
2-pent-4-yn-2-ylthiophene
CID 83934777
N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine
CID 81020260
5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 161142828
5-(2-methylsulfanylethyl)-1H-imidazole
CID 141211352
5-[3-(2,6-dimethylphenyl)propyl]-1H-imidazole
CID 10420802
2-propan-2-ylthiophene
CID 178128598
5-[4,4-bis(4-methylphenyl)butyl]-1H-imidazole
CID 10780854
5-(2,3-dimethylbutyl)-1H-imidazole
CID 149460105
N-[2-(1H-imidazol-5-yl)ethyl]butan-2-amine
CID 65232249

Frequently Asked Questions

What is the IUPAC name of 5-(3-thiophen-2-ylbutyl)-1H-imidazole?
The IUPAC name of 5-(3-thiophen-2-ylbutyl)-1H-imidazole (CID 57202794) is 5-(3-thiophen-2-ylbutyl)-1H-imidazole.
What is the SMILES notation for 5-(3-thiophen-2-ylbutyl)-1H-imidazole?
The canonical SMILES for 5-(3-thiophen-2-ylbutyl)-1H-imidazole is CC(CCc1cnc[nH]1)c1cccs1.
What is the InChIKey of 5-(3-thiophen-2-ylbutyl)-1H-imidazole?
The InChIKey is GVIDOHQQHHEQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-9(11-3-2-6-14-11)4-5-10-7-12-8-13-10/h2-3,6-9H,4-5H2,1H3,(H,12,13).
What are the key properties of 5-(3-thiophen-2-ylbutyl)-1H-imidazole?
5-(3-thiophen-2-ylbutyl)-1H-imidazole has a molecular weight of 206.31 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-thiophen-2-ylbutyl)-1H-imidazole is sourced from PubChem (CID 57202794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).