1-butyl-3-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide

C19H22BrCl2N3O — CID 2915886

IUPAC1-butyl-3-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\n(CCCC)c2ccccc2n1CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H21Cl2N3O.BrH/c1-2-3-10-23-16-6-4-5-7-17(16)24(19(23)22)11-12-25-18-9-8-14(20)13-15(18)21;/h4-9,13,22H,2-3,10-12H2,1H3;1H/b22-19+;
InChIKeySGJGHEBZOSAXGE-KWNKHXGFSA-N
MW459.22 g/mol
LogP5.69
Rot. Bonds7

About 1-butyl-3-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide

1-butyl-3-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide (PubChem CID 2915886) has the molecular formula C19H22BrCl2N3O and a molecular weight of 459.22 g/mol. Its IUPAC name is 1-butyl-3-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide.

Molecular Properties

Compound Name1-butyl-3-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide
PubChem CID2915886
Molecular FormulaC19H22BrCl2N3O
Molecular Weight459.22 g/mol
Exact Mass457.03
IUPAC Name1-butyl-3-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\n(CCCC)c2ccccc2n1CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H21Cl2N3O.BrH/c1-2-3-10-23-16-6-4-5-7-17(16)24(19(23)22)11-12-25-18-9-8-14(20)13-15(18)21;/h4-9,13,22H,2-3,10-12H2,1H3;1H/b22-19+;
InChIKeySGJGHEBZOSAXGE-KWNKHXGFSA-N
XLogP5.69
TPSA42.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.22
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-butyl-3-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[2-(2-chlorophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine
CID 17272709
1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3778765
1-[2-(2-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine;hydrobromide
CID 2932291
2-[3-[2-(2-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride
CID 2931281
1-[2-(4-bromophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine
CID 17272705
1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine;hydrobromide
CID 2979174
1-butyl-3-(dodecoxymethyl)benzimidazol-2-imine
CID 3794476
1-[3-(4-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]benzimidazol-2-imine
CID 17272675
1-[3-(4-chlorophenoxy)propyl]-3-(2-methylpropyl)benzimidazol-2-imine
CID 17272669
1-[3-(4-chlorophenoxy)propyl]-3-[(3,4-dichlorophenyl)methyl]benzimidazol-2-imine
CID 17272687

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide?
The IUPAC name of 1-butyl-3-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide (CID 2915886) is 1-butyl-3-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide.
What is the SMILES notation for 1-butyl-3-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide?
The canonical SMILES for 1-butyl-3-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide is Br.[H]/N=c1\n(CCCC)c2ccccc2n1CCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-butyl-3-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide?
The InChIKey is SGJGHEBZOSAXGE-KWNKHXGFSA-N. The full InChI is InChI=1S/C19H21Cl2N3O.BrH/c1-2-3-10-23-16-6-4-5-7-17(16)24(19(23)22)11-12-25-18-9-8-14(20)13-15(18)21;/h4-9,13,22H,2-3,10-12H2,1H3;1H/b22-19+;.
What are the key properties of 1-butyl-3-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide?
1-butyl-3-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide has a molecular weight of 459.22 g/mol, XLogP of 5.69, 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-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide is sourced from PubChem (CID 2915886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).