1-butyl-3-(4-ethoxyphenyl)-2H-imidazole;hydrobromide

C15H23BrN2O — CID 173052685

IUPAC1-butyl-3-(4-ethoxyphenyl)-2H-imidazole;hydrobromide
SMILESBr.CCCCN1C=CN(c2ccc(OCC)cc2)C1
InChIInChI=1S/C15H22N2O.BrH/c1-3-5-10-16-11-12-17(13-16)14-6-8-15(9-7-14)18-4-2;/h6-9,11-12H,3-5,10,13H2,1-2H3;1H
InChIKeyYOOJKNPKLZASSR-UHFFFAOYSA-N
MW327.27 g/mol
LogP4.01
Rot. Bonds6

About 1-butyl-3-(4-ethoxyphenyl)-2H-imidazole;hydrobromide

1-butyl-3-(4-ethoxyphenyl)-2H-imidazole;hydrobromide (PubChem CID 173052685) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-butyl-3-(4-ethoxyphenyl)-2H-imidazole;hydrobromide.

Molecular Properties

Compound Name1-butyl-3-(4-ethoxyphenyl)-2H-imidazole;hydrobromide
PubChem CID173052685
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-butyl-3-(4-ethoxyphenyl)-2H-imidazole;hydrobromide
SMILESBr.CCCCN1C=CN(c2ccc(OCC)cc2)C1
InChIInChI=1S/C15H22N2O.BrH/c1-3-5-10-16-11-12-17(13-16)14-6-8-15(9-7-14)18-4-2;/h6-9,11-12H,3-5,10,13H2,1-2H3;1H
InChIKeyYOOJKNPKLZASSR-UHFFFAOYSA-N
XLogP4.01
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(4-ethoxyphenyl)-2-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide
CID 173395195
1-butyl-3-methyl-2H-imidazole
CID 10265934
1-butyl-3-ethyl-2H-imidazole;hydroiodide
CID 173049590
1-heptyl-3-nonyl-2H-imidazole
CID 69393199
1-nonyl-3-undecyl-2H-imidazole
CID 69391482
1-dodecyl-3-octadecyl-2H-imidazole
CID 68899578
1-butyl-3-sulfanyl-2H-imidazole
CID 152535401
(1S)-1-(4-ethoxyphenyl)pentan-1-amine;hydrochloride
CID 171220237
1-ethyl-3-hexyl-2H-imidazole;hydrobromide
CID 173078365

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(4-ethoxyphenyl)-2H-imidazole;hydrobromide?
The IUPAC name of 1-butyl-3-(4-ethoxyphenyl)-2H-imidazole;hydrobromide (CID 173052685) is 1-butyl-3-(4-ethoxyphenyl)-2H-imidazole;hydrobromide.
What is the SMILES notation for 1-butyl-3-(4-ethoxyphenyl)-2H-imidazole;hydrobromide?
The canonical SMILES for 1-butyl-3-(4-ethoxyphenyl)-2H-imidazole;hydrobromide is Br.CCCCN1C=CN(c2ccc(OCC)cc2)C1.
What is the InChIKey of 1-butyl-3-(4-ethoxyphenyl)-2H-imidazole;hydrobromide?
The InChIKey is YOOJKNPKLZASSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.BrH/c1-3-5-10-16-11-12-17(13-16)14-6-8-15(9-7-14)18-4-2;/h6-9,11-12H,3-5,10,13H2,1-2H3;1H.
What are the key properties of 1-butyl-3-(4-ethoxyphenyl)-2H-imidazole;hydrobromide?
1-butyl-3-(4-ethoxyphenyl)-2H-imidazole;hydrobromide has a molecular weight of 327.27 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(4-ethoxyphenyl)-2H-imidazole;hydrobromide is sourced from PubChem (CID 173052685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).