1-(2-methylthiophen-3-yl)imidazole

C8H8N2S — CID 123164453

IUPAC1-(2-methylthiophen-3-yl)imidazole
SMILESCc1sccc1-n1ccnc1
InChIInChI=1S/C8H8N2S/c1-7-8(2-5-11-7)10-4-3-9-6-10/h2-6H,1H3
InChIKeyQBONZVIADJQTPJ-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.24
Rot. Bonds1

About 1-(2-methylthiophen-3-yl)imidazole

1-(2-methylthiophen-3-yl)imidazole (PubChem CID 123164453) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 1-(2-methylthiophen-3-yl)imidazole.

Molecular Properties

Compound Name1-(2-methylthiophen-3-yl)imidazole
PubChem CID123164453
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name1-(2-methylthiophen-3-yl)imidazole
SMILESCc1sccc1-n1ccnc1
InChIInChI=1S/C8H8N2S/c1-7-8(2-5-11-7)10-4-3-9-6-10/h2-6H,1H3
InChIKeyQBONZVIADJQTPJ-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-imidazol-1-ylthiophene-2-carbaldehyde
CID 55254165
1-(4-bromo-2-methylphenyl)imidazole
CID 70332968
5,8-di(imidazol-1-yl)quinoxaline
CID 132507181
1-[2,3-di(imidazol-1-yl)phenyl]imidazole
CID 141435532
ethane;1-(2-fluoro-4-methylphenyl)imidazole
CID 143815689
1-[2-(2-imidazol-1-yl-4,6-dimethylphenyl)-3,5-dimethylphenyl]imidazole
CID 122388933
2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-imidazol-1-yl-1H-pyrazol-3-one
CID 59603660
1-(2-methylthiophen-3-yl)-3-phenylpyrazole
CID 59804975
(4-imidazol-1-yl-3-methylphenyl)methanol
CID 62122421
3,4-di(imidazol-1-yl)aniline
CID 129289428
2-imidazol-1-ylaniline;dihydrochloride
CID 46786017
4-bromo-3-imidazol-1-ylpyridine
CID 84688960

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthiophen-3-yl)imidazole?
The IUPAC name of 1-(2-methylthiophen-3-yl)imidazole (CID 123164453) is 1-(2-methylthiophen-3-yl)imidazole.
What is the SMILES notation for 1-(2-methylthiophen-3-yl)imidazole?
The canonical SMILES for 1-(2-methylthiophen-3-yl)imidazole is Cc1sccc1-n1ccnc1.
What is the InChIKey of 1-(2-methylthiophen-3-yl)imidazole?
The InChIKey is QBONZVIADJQTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-7-8(2-5-11-7)10-4-3-9-6-10/h2-6H,1H3.
What are the key properties of 1-(2-methylthiophen-3-yl)imidazole?
1-(2-methylthiophen-3-yl)imidazole has a molecular weight of 164.23 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthiophen-3-yl)imidazole is sourced from PubChem (CID 123164453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).