2-(5-ethylthiophen-2-yl)-1-methylimidazole

C10H12N2S — CID 145483602

IUPAC2-(5-ethylthiophen-2-yl)-1-methylimidazole
SMILESCCc1ccc(-c2nccn2C)s1
InChIInChI=1S/C10H12N2S/c1-3-8-4-5-9(13-8)10-11-6-7-12(10)2/h4-7H,3H2,1-2H3
InChIKeyZMCSSUPJFCPTML-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.71
Rot. Bonds2

About 2-(5-ethylthiophen-2-yl)-1-methylimidazole

2-(5-ethylthiophen-2-yl)-1-methylimidazole (PubChem CID 145483602) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-methylimidazole.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-methylimidazole
PubChem CID145483602
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name2-(5-ethylthiophen-2-yl)-1-methylimidazole
SMILESCCc1ccc(-c2nccn2C)s1
InChIInChI=1S/C10H12N2S/c1-3-8-4-5-9(13-8)10-11-6-7-12(10)2/h4-7H,3H2,1-2H3
InChIKeyZMCSSUPJFCPTML-UHFFFAOYSA-N
XLogP2.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-1-methylimidazole
CID 129415994
3-(5-ethylthiophen-2-yl)-4-methyl-1,2,4-triazole
CID 115395259
ethane;2-(5-ethylthiophen-2-yl)pyridine
CID 142831461
1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925
1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole
CID 132575754
2,5-diethylthiophene
CID 521294
3-(5-ethylthiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393561
tert-butyl N-[5-(1-methylimidazol-2-yl)thiophen-2-yl]carbamate
CID 131057383
2-[2-(5-methylthiophen-2-yl)imidazol-1-yl]ethanol
CID 155909271
carbon monoxide;ethanol;1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(rhodium);dichloride
CID 139144797
7-(5-ethylthiophen-2-yl)-5-(5-propan-2-ylthiophen-2-yl)thieno[3,4-b]pyrazine
CID 155322703
2-(5-ethylthiophen-2-yl)-1,3-thiazole-5-carbaldehyde
CID 62318682

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-methylimidazole?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-methylimidazole (CID 145483602) is 2-(5-ethylthiophen-2-yl)-1-methylimidazole.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-methylimidazole?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-methylimidazole is CCc1ccc(-c2nccn2C)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-methylimidazole?
The InChIKey is ZMCSSUPJFCPTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-3-8-4-5-9(13-8)10-11-6-7-12(10)2/h4-7H,3H2,1-2H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-methylimidazole?
2-(5-ethylthiophen-2-yl)-1-methylimidazole has a molecular weight of 192.29 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-methylimidazole is sourced from PubChem (CID 145483602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).