1-[2-(2-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine;hydrobromide

C19H24BrN3O — CID 2932291

IUPAC1-[2-(2-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\n(CCC)c2ccccc2n1CCOc1ccccc1C
InChIInChI=1S/C19H23N3O.BrH/c1-3-12-21-16-9-5-6-10-17(16)22(19(21)20)13-14-23-18-11-7-4-8-15(18)2;/h4-11,20H,3,12-14H2,1-2H3;1H/b20-19+;
InChIKeyTZYLLGWESLXMBF-RZLHGTIFSA-N
MW390.33 g/mol
LogP4.30
Rot. Bonds6

About 1-[2-(2-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine;hydrobromide

1-[2-(2-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine;hydrobromide (PubChem CID 2932291) has the molecular formula C19H24BrN3O and a molecular weight of 390.33 g/mol. Its IUPAC name is 1-[2-(2-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine;hydrobromide.

Molecular Properties

Compound Name1-[2-(2-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine;hydrobromide
PubChem CID2932291
Molecular FormulaC19H24BrN3O
Molecular Weight390.33 g/mol
Exact Mass389.11
IUPAC Name1-[2-(2-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\n(CCC)c2ccccc2n1CCOc1ccccc1C
InChIInChI=1S/C19H23N3O.BrH/c1-3-12-21-16-9-5-6-10-17(16)22(19(21)20)13-14-23-18-11-7-4-8-15(18)2;/h4-11,20H,3,12-14H2,1-2H3;1H/b20-19+;
InChIKeyTZYLLGWESLXMBF-RZLHGTIFSA-N
XLogP4.30
TPSA42.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3356244
1-butyl-3-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide
CID 2913926
1-butyl-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine
CID 2984680
1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide
CID 52997879
1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3778765
(2S)-1-(3-butyl-2-iminobenzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 28875289
1-butyl-3-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide
CID 2915886
1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine
CID 762258
2-[3-[2-(2-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride
CID 2931281
1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine;hydrobromide
CID 2979174
1-(octoxymethyl)-3-propylbenzimidazol-2-imine;hydrochloride
CID 44888968
2-imino-3-propylbenzimidazol-1-amine;hydroiodide
CID 2853922

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine;hydrobromide?
The IUPAC name of 1-[2-(2-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine;hydrobromide (CID 2932291) is 1-[2-(2-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine;hydrobromide.
What is the SMILES notation for 1-[2-(2-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine;hydrobromide?
The canonical SMILES for 1-[2-(2-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine;hydrobromide is Br.[H]/N=c1\n(CCC)c2ccccc2n1CCOc1ccccc1C.
What is the InChIKey of 1-[2-(2-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine;hydrobromide?
The InChIKey is TZYLLGWESLXMBF-RZLHGTIFSA-N. The full InChI is InChI=1S/C19H23N3O.BrH/c1-3-12-21-16-9-5-6-10-17(16)22(19(21)20)13-14-23-18-11-7-4-8-15(18)2;/h4-11,20H,3,12-14H2,1-2H3;1H/b20-19+;.
What are the key properties of 1-[2-(2-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine;hydrobromide?
1-[2-(2-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine;hydrobromide has a molecular weight of 390.33 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine;hydrobromide is sourced from PubChem (CID 2932291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).