2-(3-imidazol-1-ylphenyl)-1-thiophen-2-ylethanone;hydrobromide

C15H13BrN2OS — CID 173193953

IUPAC2-(3-imidazol-1-ylphenyl)-1-thiophen-2-ylethanone;hydrobromide
SMILESBr.O=C(Cc1cccc(-n2ccnc2)c1)c1cccs1
InChIInChI=1S/C15H12N2OS.BrH/c18-14(15-5-2-8-19-15)10-12-3-1-4-13(9-12)17-7-6-16-11-17;/h1-9,11H,10H2;1H
InChIKeyMVBQDVPDPMZDOM-UHFFFAOYSA-N
MW349.25 g/mol
LogP3.94
Rot. Bonds4

About 2-(3-imidazol-1-ylphenyl)-1-thiophen-2-ylethanone;hydrobromide

2-(3-imidazol-1-ylphenyl)-1-thiophen-2-ylethanone;hydrobromide (PubChem CID 173193953) has the molecular formula C15H13BrN2OS and a molecular weight of 349.25 g/mol. Its IUPAC name is 2-(3-imidazol-1-ylphenyl)-1-thiophen-2-ylethanone;hydrobromide.

Molecular Properties

Compound Name2-(3-imidazol-1-ylphenyl)-1-thiophen-2-ylethanone;hydrobromide
PubChem CID173193953
Molecular FormulaC15H13BrN2OS
Molecular Weight349.25 g/mol
Exact Mass347.99
IUPAC Name2-(3-imidazol-1-ylphenyl)-1-thiophen-2-ylethanone;hydrobromide
SMILESBr.O=C(Cc1cccc(-n2ccnc2)c1)c1cccs1
InChIInChI=1S/C15H12N2OS.BrH/c18-14(15-5-2-8-19-15)10-12-3-1-4-13(9-12)17-7-6-16-11-17;/h1-9,11H,10H2;1H
InChIKeyMVBQDVPDPMZDOM-UHFFFAOYSA-N
XLogP3.94
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-imidazol-1-ylphenyl)-1-thiophen-2-ylethanone;hydrobromide?
The IUPAC name of 2-(3-imidazol-1-ylphenyl)-1-thiophen-2-ylethanone;hydrobromide (CID 173193953) is 2-(3-imidazol-1-ylphenyl)-1-thiophen-2-ylethanone;hydrobromide.
What is the SMILES notation for 2-(3-imidazol-1-ylphenyl)-1-thiophen-2-ylethanone;hydrobromide?
The canonical SMILES for 2-(3-imidazol-1-ylphenyl)-1-thiophen-2-ylethanone;hydrobromide is Br.O=C(Cc1cccc(-n2ccnc2)c1)c1cccs1.
What is the InChIKey of 2-(3-imidazol-1-ylphenyl)-1-thiophen-2-ylethanone;hydrobromide?
The InChIKey is MVBQDVPDPMZDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS.BrH/c18-14(15-5-2-8-19-15)10-12-3-1-4-13(9-12)17-7-6-16-11-17;/h1-9,11H,10H2;1H.
What are the key properties of 2-(3-imidazol-1-ylphenyl)-1-thiophen-2-ylethanone;hydrobromide?
2-(3-imidazol-1-ylphenyl)-1-thiophen-2-ylethanone;hydrobromide has a molecular weight of 349.25 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imidazol-1-ylphenyl)-1-thiophen-2-ylethanone;hydrobromide is sourced from PubChem (CID 173193953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).