1-methyl-4-thiophen-3-ylimidazole

C8H8N2S — CID 6539906

IUPAC1-methyl-4-thiophen-3-ylimidazole
SMILESCn1cnc(-c2ccsc2)c1
InChIInChI=1S/C8H8N2S/c1-10-4-8(9-6-10)7-2-3-11-5-7/h2-6H,1H3
InChIKeyBISDRUPVBMQZBH-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.15
Rot. Bonds1

About 1-methyl-4-thiophen-3-ylimidazole

1-methyl-4-thiophen-3-ylimidazole (PubChem CID 6539906) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 1-methyl-4-thiophen-3-ylimidazole.

Molecular Properties

Compound Name1-methyl-4-thiophen-3-ylimidazole
PubChem CID6539906
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name1-methyl-4-thiophen-3-ylimidazole
SMILESCn1cnc(-c2ccsc2)c1
InChIInChI=1S/C8H8N2S/c1-10-4-8(9-6-10)7-2-3-11-5-7/h2-6H,1H3
InChIKeyBISDRUPVBMQZBH-UHFFFAOYSA-N
XLogP2.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539905
4-(2-Thienyl)-1-(4-Methylbenzyl)-1h-Imidazole
CID 446185
5-[(3-methylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride
CID 9837284
5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole
CID 10487999
4-{[4-(thiophen-3-yl)-1H-imidazol-1-yl]methyl}aniline
CID 6539902
1-[(3-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539907
2-(4-Methyl-1-piperazinyl)-4-(3-thienyl)pyrimidine
CID 10753846
4-(4,5-Dihydro-benzo[b]thiophen-7-yl)-1H-imidazole
CID 9837106
1-(4-Phenylthiazol-2-yl)-4-(thiophen-2-yl)-1h-imidazol-2-amine
CID 9927279
5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole;hydrochloride
CID 19961030
5-Imidazol-1-ylmethyl-2-thiophen-2-yl-pyridine
CID 57329792
3-Imidazol-1-ylmethyl-2-thiophen-2-yl-pyridine
CID 57329793

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-thiophen-3-ylimidazole?
The IUPAC name of 1-methyl-4-thiophen-3-ylimidazole (CID 6539906) is 1-methyl-4-thiophen-3-ylimidazole.
What is the SMILES notation for 1-methyl-4-thiophen-3-ylimidazole?
The canonical SMILES for 1-methyl-4-thiophen-3-ylimidazole is Cn1cnc(-c2ccsc2)c1.
What is the InChIKey of 1-methyl-4-thiophen-3-ylimidazole?
The InChIKey is BISDRUPVBMQZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-10-4-8(9-6-10)7-2-3-11-5-7/h2-6H,1H3.
What are the key properties of 1-methyl-4-thiophen-3-ylimidazole?
1-methyl-4-thiophen-3-ylimidazole has a molecular weight of 164.23 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-thiophen-3-ylimidazole is sourced from PubChem (CID 6539906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).