1-(3-methoxythiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone

C11H12N2O2S — CID 115784375

IUPAC1-(3-methoxythiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCOc1ccsc1C(=O)Cc1nccn1C
InChIInChI=1S/C11H12N2O2S/c1-13-5-4-12-10(13)7-8(14)11-9(15-2)3-6-16-11/h3-6H,7H2,1-2H3
InChIKeyUUCALYHPQIINTB-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.92
Rot. Bonds4

About 1-(3-methoxythiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone

1-(3-methoxythiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone (PubChem CID 115784375) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-(3-methoxythiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-methoxythiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
PubChem CID115784375
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name1-(3-methoxythiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCOc1ccsc1C(=O)Cc1nccn1C
InChIInChI=1S/C11H12N2O2S/c1-13-5-4-12-10(13)7-8(14)11-9(15-2)3-6-16-11/h3-6H,7H2,1-2H3
InChIKeyUUCALYHPQIINTB-UHFFFAOYSA-N
XLogP1.92
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxythiophen-2-yl)-2-pyridin-2-ylethanone
CID 81122055
1-(2-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 106790241
1-(4-fluoro-3-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784488
1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanone
CID 105116343
2-(5-bromo-2-pyridinyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 115800936
2-(4-tert-butylphenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 114967861
2-(3,4-dichlorophenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 81122836
1-(3-methoxythiophen-2-yl)butan-1-one
CID 81118922
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)ethanone
CID 114980597
2-(1-methylimidazol-2-yl)-1-pyridin-2-ylethanone
CID 112731558
1-(5-chlorothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784458
1-(5-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 112731562

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxythiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone?
The IUPAC name of 1-(3-methoxythiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone (CID 115784375) is 1-(3-methoxythiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(3-methoxythiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(3-methoxythiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone is COc1ccsc1C(=O)Cc1nccn1C.
What is the InChIKey of 1-(3-methoxythiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone?
The InChIKey is UUCALYHPQIINTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-13-5-4-12-10(13)7-8(14)11-9(15-2)3-6-16-11/h3-6H,7H2,1-2H3.
What are the key properties of 1-(3-methoxythiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone?
1-(3-methoxythiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone has a molecular weight of 236.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxythiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone is sourced from PubChem (CID 115784375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).