2-imidazol-1-yl-1-thiophen-2-ylethanone

C9H8N2OS — CID 14264751

IUPAC2-imidazol-1-yl-1-thiophen-2-ylethanone
SMILESO=C(Cn1ccnc1)c1cccs1
InChIInChI=1S/C9H8N2OS/c12-8(9-2-1-5-13-9)6-11-4-3-10-7-11/h1-5,7H,6H2
InChIKeyZVYIWDKBFWAAIY-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.83
Rot. Bonds3

About 2-imidazol-1-yl-1-thiophen-2-ylethanone

2-imidazol-1-yl-1-thiophen-2-ylethanone (PubChem CID 14264751) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-imidazol-1-yl-1-thiophen-2-ylethanone
PubChem CID14264751
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name2-imidazol-1-yl-1-thiophen-2-ylethanone
SMILESO=C(Cn1ccnc1)c1cccs1
InChIInChI=1S/C9H8N2OS/c12-8(9-2-1-5-13-9)6-11-4-3-10-7-11/h1-5,7H,6H2
InChIKeyZVYIWDKBFWAAIY-UHFFFAOYSA-N
XLogP1.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-imidazol-1-ylethanone
CID 12841537
N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide
CID 13371093
N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide
CID 110442375
2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanone
CID 14988698
2-imidazol-1-yl-1-pyridin-3-ylethanone
CID 70494424
2-(3-imidazol-1-ylphenyl)-1-thiophen-2-ylethanone;hydrobromide
CID 173193953
N-(3-imidazol-1-ylpropyl)thiophene-2-carbothioamide
CID 24994520
4-imidazol-1-yl-1-thiophen-2-ylbutan-2-one;hydrochloride
CID 67780593
7-imidazol-1-yl-1-thiophen-2-yldecan-1-one
CID 23365334
5-(4-fluorophenyl)-1-(3-imidazol-1-ylpropyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione
CID 4756778
(1S)-3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol
CID 129406015
N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylacetamide
CID 110472557

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-thiophen-2-ylethanone?
The IUPAC name of 2-imidazol-1-yl-1-thiophen-2-ylethanone (CID 14264751) is 2-imidazol-1-yl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-imidazol-1-yl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-imidazol-1-yl-1-thiophen-2-ylethanone is O=C(Cn1ccnc1)c1cccs1.
What is the InChIKey of 2-imidazol-1-yl-1-thiophen-2-ylethanone?
The InChIKey is ZVYIWDKBFWAAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c12-8(9-2-1-5-13-9)6-11-4-3-10-7-11/h1-5,7H,6H2.
What are the key properties of 2-imidazol-1-yl-1-thiophen-2-ylethanone?
2-imidazol-1-yl-1-thiophen-2-ylethanone has a molecular weight of 192.24 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-thiophen-2-ylethanone is sourced from PubChem (CID 14264751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).