1-butyl-3-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide

C19H23BrClN3O — CID 2913926

IUPAC1-butyl-3-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\n(CCCC)c2ccccc2n1CCOc1ccccc1Cl
InChIInChI=1S/C19H22ClN3O.BrH/c1-2-3-12-22-16-9-5-6-10-17(16)23(19(22)21)13-14-24-18-11-7-4-8-15(18)20;/h4-11,21H,2-3,12-14H2,1H3;1H/b21-19+;
InChIKeyMWRFRVLXGOKJDU-UXJRWBAGSA-N
MW424.77 g/mol
LogP5.03
Rot. Bonds7

About 1-butyl-3-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide

1-butyl-3-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide (PubChem CID 2913926) has the molecular formula C19H23BrClN3O and a molecular weight of 424.77 g/mol. Its IUPAC name is 1-butyl-3-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide.

Molecular Properties

Compound Name1-butyl-3-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide
PubChem CID2913926
Molecular FormulaC19H23BrClN3O
Molecular Weight424.77 g/mol
Exact Mass423.07
IUPAC Name1-butyl-3-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\n(CCCC)c2ccccc2n1CCOc1ccccc1Cl
InChIInChI=1S/C19H22ClN3O.BrH/c1-2-3-12-22-16-9-5-6-10-17(16)23(19(22)21)13-14-24-18-11-7-4-8-15(18)20;/h4-11,21H,2-3,12-14H2,1H3;1H/b21-19+;
InChIKeyMWRFRVLXGOKJDU-UXJRWBAGSA-N
XLogP5.03
TPSA42.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.77
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-3-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide
CID 2915886
1-butyl-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine
CID 2984680
1-[2-(2-chlorophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine
CID 17272709
2-[3-[2-(2-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride
CID 2931281
1-[2-(2-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine;hydrobromide
CID 2932291
1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine;hydrobromide
CID 2979174
1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3778765
1-butyl-3-(dodecoxymethyl)benzimidazol-2-imine
CID 3794476
1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine
CID 762258
1-[2-(4-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3356244
1-[2-(4-bromophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine
CID 17272705
(2S)-1-(3-butyl-2-iminobenzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 28875289

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide?
The IUPAC name of 1-butyl-3-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide (CID 2913926) is 1-butyl-3-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide.
What is the SMILES notation for 1-butyl-3-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide?
The canonical SMILES for 1-butyl-3-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide is Br.[H]/N=c1\n(CCCC)c2ccccc2n1CCOc1ccccc1Cl.
What is the InChIKey of 1-butyl-3-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide?
The InChIKey is MWRFRVLXGOKJDU-UXJRWBAGSA-N. The full InChI is InChI=1S/C19H22ClN3O.BrH/c1-2-3-12-22-16-9-5-6-10-17(16)23(19(22)21)13-14-24-18-11-7-4-8-15(18)20;/h4-11,21H,2-3,12-14H2,1H3;1H/b21-19+;.
What are the key properties of 1-butyl-3-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide?
1-butyl-3-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide has a molecular weight of 424.77 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide is sourced from PubChem (CID 2913926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).