1-(6-ethylnaphthalen-2-yl)-2-imidazol-1-ylethanone;hydrobromide

C17H17BrN2O — CID 3058919

IUPAC1-(6-ethylnaphthalen-2-yl)-2-imidazol-1-ylethanone;hydrobromide
SMILESBr.CCc1ccc2cc(C(=O)Cn3ccnc3)ccc2c1
InChIInChI=1S/C17H16N2O.BrH/c1-2-13-3-4-15-10-16(6-5-14(15)9-13)17(20)11-19-8-7-18-12-19;/h3-10,12H,2,11H2,1H3;1H
InChIKeyKRYRWQKOSPPAEA-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.06
Rot. Bonds4

About 1-(6-ethylnaphthalen-2-yl)-2-imidazol-1-ylethanone;hydrobromide

1-(6-ethylnaphthalen-2-yl)-2-imidazol-1-ylethanone;hydrobromide (PubChem CID 3058919) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 1-(6-ethylnaphthalen-2-yl)-2-imidazol-1-ylethanone;hydrobromide.

Molecular Properties

Compound Name1-(6-ethylnaphthalen-2-yl)-2-imidazol-1-ylethanone;hydrobromide
PubChem CID3058919
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name1-(6-ethylnaphthalen-2-yl)-2-imidazol-1-ylethanone;hydrobromide
SMILESBr.CCc1ccc2cc(C(=O)Cn3ccnc3)ccc2c1
InChIInChI=1S/C17H16N2O.BrH/c1-2-13-3-4-15-10-16(6-5-14(15)9-13)17(20)11-19-8-7-18-12-19;/h3-10,12H,2,11H2,1H3;1H
InChIKeyKRYRWQKOSPPAEA-UHFFFAOYSA-N
XLogP4.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-Imidazol-1-yl)-1-(4-(2-phenylethyl)phenyl)ethanone
CID 52758
2-(1H-Imidazol-1-yl)-1-(2-naphthalenyl)ethanone
CID 51200
2-(1H-Imidazol-1-yl)-1-phenylethanone
CID 32235
1-(1,1'-Biphenyl)-4-yl-2-(1H-imidazol-1-yl)ethanone
CID 51709
Ethanone, 1-(4-cyclohexylphenyl)-2-(1H-imidazol-1-yl)-
CID 3057014
1-(1h-Imidazol-1-Yl)-4,4-Diphenylbutan-2-One
CID 58580486
Nafimidone monohydrochloride
CID 51199
Propiophenone, 3-(1-imidazolyl)-2-methyl-4'-phenyl-
CID 3057080
(3,4-Dimethylphenyl)-(1-methylimidazol-2-yl)methanone
CID 3264798
2-[(1-Methyl-2-imidazolyl)thio]-1-(2-naphthalenyl)ethanone
CID 4130492
1,3-Bis-(2-oxo-2-phenyl-ethyl)-3H-imidazol-1-ium
CID 10385378
1-(4-Benzylphenyl)-2-[3-[2-(4-benzylphenyl)-2-oxoethyl]imidazol-3-ium-1-yl]ethanone bromide
CID 46185911

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethylnaphthalen-2-yl)-2-imidazol-1-ylethanone;hydrobromide?
The IUPAC name of 1-(6-ethylnaphthalen-2-yl)-2-imidazol-1-ylethanone;hydrobromide (CID 3058919) is 1-(6-ethylnaphthalen-2-yl)-2-imidazol-1-ylethanone;hydrobromide.
What is the SMILES notation for 1-(6-ethylnaphthalen-2-yl)-2-imidazol-1-ylethanone;hydrobromide?
The canonical SMILES for 1-(6-ethylnaphthalen-2-yl)-2-imidazol-1-ylethanone;hydrobromide is Br.CCc1ccc2cc(C(=O)Cn3ccnc3)ccc2c1.
What is the InChIKey of 1-(6-ethylnaphthalen-2-yl)-2-imidazol-1-ylethanone;hydrobromide?
The InChIKey is KRYRWQKOSPPAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O.BrH/c1-2-13-3-4-15-10-16(6-5-14(15)9-13)17(20)11-19-8-7-18-12-19;/h3-10,12H,2,11H2,1H3;1H.
What are the key properties of 1-(6-ethylnaphthalen-2-yl)-2-imidazol-1-ylethanone;hydrobromide?
1-(6-ethylnaphthalen-2-yl)-2-imidazol-1-ylethanone;hydrobromide has a molecular weight of 345.24 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethylnaphthalen-2-yl)-2-imidazol-1-ylethanone;hydrobromide is sourced from PubChem (CID 3058919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).