1-(4-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone;hydrobromide

C12H13BrN2O2S — CID 16682684

IUPAC1-(4-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone;hydrobromide
SMILESBr.Cn1ccnc1SCC(=O)c1ccc(O)cc1
InChIInChI=1S/C12H12N2O2S.BrH/c1-14-7-6-13-12(14)17-8-11(16)9-2-4-10(15)5-3-9;/h2-7,15H,8H2,1H3;1H
InChIKeyNHIZXDWMGKNUFH-UHFFFAOYSA-N
MW329.22 g/mol
LogP2.68
Rot. Bonds4

About 1-(4-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone;hydrobromide

1-(4-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone;hydrobromide (PubChem CID 16682684) has the molecular formula C12H13BrN2O2S and a molecular weight of 329.22 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone;hydrobromide.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone;hydrobromide
PubChem CID16682684
Molecular FormulaC12H13BrN2O2S
Molecular Weight329.22 g/mol
Exact Mass327.99
IUPAC Name1-(4-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone;hydrobromide
SMILESBr.Cn1ccnc1SCC(=O)c1ccc(O)cc1
InChIInChI=1S/C12H12N2O2S.BrH/c1-14-7-6-13-12(14)17-8-11(16)9-2-4-10(15)5-3-9;/h2-7,15H,8H2,1H3;1H
InChIKeyNHIZXDWMGKNUFH-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone;hydrobromide?
The IUPAC name of 1-(4-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone;hydrobromide (CID 16682684) is 1-(4-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone;hydrobromide.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone;hydrobromide?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone;hydrobromide is Br.Cn1ccnc1SCC(=O)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone;hydrobromide?
The InChIKey is NHIZXDWMGKNUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S.BrH/c1-14-7-6-13-12(14)17-8-11(16)9-2-4-10(15)5-3-9;/h2-7,15H,8H2,1H3;1H.
What are the key properties of 1-(4-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone;hydrobromide?
1-(4-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone;hydrobromide has a molecular weight of 329.22 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone;hydrobromide is sourced from PubChem (CID 16682684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).