1-(1-ethylimidazol-2-yl)-2-thiophen-3-ylethanone

C11H12N2OS — CID 105101257

IUPAC1-(1-ethylimidazol-2-yl)-2-thiophen-3-ylethanone
SMILESCCn1ccnc1C(=O)Cc1ccsc1
InChIInChI=1S/C11H12N2OS/c1-2-13-5-4-12-11(13)10(14)7-9-3-6-15-8-9/h3-6,8H,2,7H2,1H3
InChIKeyBHTQSVWMAHCZKL-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.39
Rot. Bonds4

About 1-(1-ethylimidazol-2-yl)-2-thiophen-3-ylethanone

1-(1-ethylimidazol-2-yl)-2-thiophen-3-ylethanone (PubChem CID 105101257) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-2-thiophen-3-ylethanone
PubChem CID105101257
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name1-(1-ethylimidazol-2-yl)-2-thiophen-3-ylethanone
SMILESCCn1ccnc1C(=O)Cc1ccsc1
InChIInChI=1S/C11H12N2OS/c1-2-13-5-4-12-11(13)10(14)7-9-3-6-15-8-9/h3-6,8H,2,7H2,1H3
InChIKeyBHTQSVWMAHCZKL-UHFFFAOYSA-N
XLogP2.39
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone
CID 63975424
2-(3,4-dimethylphenyl)-1-(1-ethylimidazol-2-yl)ethanone
CID 63975634
4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
CID 116571399
1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one
CID 116561163
1-(1-ethylimidazol-2-yl)-2-phenylsulfanylethanone
CID 65141818
1-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-3-ylethanone
CID 105091117
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024
benzyl 1-ethylimidazole-2-carboxylate tetrafluoroborate
CID 21251925
1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one
CID 103446629
N-ethyl-1-(2-thiophen-3-ylethyl)imidazol-2-amine
CID 106567554
N-methyl-1-(2-thiophen-3-ylethyl)imidazol-2-amine
CID 106567511
1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 70736283

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-2-thiophen-3-ylethanone (CID 105101257) is 1-(1-ethylimidazol-2-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-2-thiophen-3-ylethanone is CCn1ccnc1C(=O)Cc1ccsc1.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-2-thiophen-3-ylethanone?
The InChIKey is BHTQSVWMAHCZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-2-13-5-4-12-11(13)10(14)7-9-3-6-15-8-9/h3-6,8H,2,7H2,1H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-2-thiophen-3-ylethanone?
1-(1-ethylimidazol-2-yl)-2-thiophen-3-ylethanone has a molecular weight of 220.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 105101257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).