2-(1-benzothiophen-3-yl)-1-(1-methylimidazol-4-yl)ethanone

C14H12N2OS — CID 114023138

IUPAC2-(1-benzothiophen-3-yl)-1-(1-methylimidazol-4-yl)ethanone
SMILESCn1cnc(C(=O)Cc2csc3ccccc23)c1
InChIInChI=1S/C14H12N2OS/c1-16-7-12(15-9-16)13(17)6-10-8-18-14-5-3-2-4-11(10)14/h2-5,7-9H,6H2,1H3
InChIKeyJNHXZFDSQIIMMH-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.06
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-1-(1-methylimidazol-4-yl)ethanone

2-(1-benzothiophen-3-yl)-1-(1-methylimidazol-4-yl)ethanone (PubChem CID 114023138) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(1-methylimidazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(1-methylimidazol-4-yl)ethanone
PubChem CID114023138
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name2-(1-benzothiophen-3-yl)-1-(1-methylimidazol-4-yl)ethanone
SMILESCn1cnc(C(=O)Cc2csc3ccccc23)c1
InChIInChI=1S/C14H12N2OS/c1-16-7-12(15-9-16)13(17)6-10-8-18-14-5-3-2-4-11(10)14/h2-5,7-9H,6H2,1H3
InChIKeyJNHXZFDSQIIMMH-UHFFFAOYSA-N
XLogP3.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzothiophen-3-yl)-1-pyrimidin-4-ylethanone
CID 63988936
2-(1-benzothiophen-3-yl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105085021
1-(1-methylimidazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 107977007
2-(1-benzothiophen-3-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanone
CID 107502507
2-(1-benzothiophen-3-yl)-1-(3,4-dichlorophenyl)ethanone
CID 81491388
2-(1-benzothiophen-3-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 103124123
6-(1-benzothiophen-3-yl)hexane-2,3,5-trione
CID 59961659
1-[4-(aminomethyl)phenyl]-2-(1-benzothiophen-3-yl)ethanone
CID 116548203
2-(1-benzothiophen-3-yl)-1-(2-chloro-3-methylphenyl)ethanone
CID 114965661
2-(1-benzothiophen-3-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 114965683
2-(1-benzothiophen-3-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone
CID 105085054
2-(1-benzothiophen-3-yl)-1-(3-methoxyphenyl)ethanone
CID 63739162

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(1-methylimidazol-4-yl)ethanone?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(1-methylimidazol-4-yl)ethanone (CID 114023138) is 2-(1-benzothiophen-3-yl)-1-(1-methylimidazol-4-yl)ethanone.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(1-methylimidazol-4-yl)ethanone?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(1-methylimidazol-4-yl)ethanone is Cn1cnc(C(=O)Cc2csc3ccccc23)c1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(1-methylimidazol-4-yl)ethanone?
The InChIKey is JNHXZFDSQIIMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-16-7-12(15-9-16)13(17)6-10-8-18-14-5-3-2-4-11(10)14/h2-5,7-9H,6H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(1-methylimidazol-4-yl)ethanone?
2-(1-benzothiophen-3-yl)-1-(1-methylimidazol-4-yl)ethanone has a molecular weight of 256.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(1-methylimidazol-4-yl)ethanone is sourced from PubChem (CID 114023138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).