2-(1,2-dihydroimidazol-3-yl)-1-(3-ethoxyphenyl)ethanone;hydrobromide

C13H17BrN2O2 — CID 173395158

IUPAC2-(1,2-dihydroimidazol-3-yl)-1-(3-ethoxyphenyl)ethanone;hydrobromide
SMILESBr.CCOc1cccc(C(=O)CN2C=CNC2)c1
InChIInChI=1S/C13H16N2O2.BrH/c1-2-17-12-5-3-4-11(8-12)13(16)9-15-7-6-14-10-15;/h3-8,14H,2,9-10H2,1H3;1H
InChIKeySVPRKLRKYGAQPP-UHFFFAOYSA-N
MW313.20 g/mol
LogP2.18
Rot. Bonds5

About 2-(1,2-dihydroimidazol-3-yl)-1-(3-ethoxyphenyl)ethanone;hydrobromide

2-(1,2-dihydroimidazol-3-yl)-1-(3-ethoxyphenyl)ethanone;hydrobromide (PubChem CID 173395158) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 2-(1,2-dihydroimidazol-3-yl)-1-(3-ethoxyphenyl)ethanone;hydrobromide.

Molecular Properties

Compound Name2-(1,2-dihydroimidazol-3-yl)-1-(3-ethoxyphenyl)ethanone;hydrobromide
PubChem CID173395158
Molecular FormulaC13H17BrN2O2
Molecular Weight313.20 g/mol
Exact Mass312.05
IUPAC Name2-(1,2-dihydroimidazol-3-yl)-1-(3-ethoxyphenyl)ethanone;hydrobromide
SMILESBr.CCOc1cccc(C(=O)CN2C=CNC2)c1
InChIInChI=1S/C13H16N2O2.BrH/c1-2-17-12-5-3-4-11(8-12)13(16)9-15-7-6-14-10-15;/h3-8,14H,2,9-10H2,1H3;1H
InChIKeySVPRKLRKYGAQPP-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
3-(3-ethoxyphenyl)-3-oxopropanal
CID 55266464
4-ethoxy-1-(3-ethoxyphenyl)butan-1-one
CID 105122439
2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone
CID 105122407
2-(2-chloro-3-fluorophenyl)-1-(3-ethoxyphenyl)ethanone
CID 115983474
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
methyl 3-ethoxybenzoate
CID 3267781
[1-(aminomethyl)cyclopropyl]-(3-ethoxyphenyl)methanone
CID 116601381
2-(3-ethoxyphenyl)-2-oxoacetaldehyde
CID 19004915
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
2-ethoxy-1-(3-ethoxyphenyl)butan-1-one
CID 116707614
(3-ethoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568424

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroimidazol-3-yl)-1-(3-ethoxyphenyl)ethanone;hydrobromide?
The IUPAC name of 2-(1,2-dihydroimidazol-3-yl)-1-(3-ethoxyphenyl)ethanone;hydrobromide (CID 173395158) is 2-(1,2-dihydroimidazol-3-yl)-1-(3-ethoxyphenyl)ethanone;hydrobromide.
What is the SMILES notation for 2-(1,2-dihydroimidazol-3-yl)-1-(3-ethoxyphenyl)ethanone;hydrobromide?
The canonical SMILES for 2-(1,2-dihydroimidazol-3-yl)-1-(3-ethoxyphenyl)ethanone;hydrobromide is Br.CCOc1cccc(C(=O)CN2C=CNC2)c1.
What is the InChIKey of 2-(1,2-dihydroimidazol-3-yl)-1-(3-ethoxyphenyl)ethanone;hydrobromide?
The InChIKey is SVPRKLRKYGAQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2.BrH/c1-2-17-12-5-3-4-11(8-12)13(16)9-15-7-6-14-10-15;/h3-8,14H,2,9-10H2,1H3;1H.
What are the key properties of 2-(1,2-dihydroimidazol-3-yl)-1-(3-ethoxyphenyl)ethanone;hydrobromide?
2-(1,2-dihydroimidazol-3-yl)-1-(3-ethoxyphenyl)ethanone;hydrobromide has a molecular weight of 313.20 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroimidazol-3-yl)-1-(3-ethoxyphenyl)ethanone;hydrobromide is sourced from PubChem (CID 173395158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).