1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine;hydrobromide

C23H23BrClN3O2 — CID 2979174

IUPAC1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\n(CCOc2ccccc2OC)c2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C23H22ClN3O2.BrH/c1-28-21-12-6-7-13-22(21)29-15-14-26-19-10-4-5-11-20(19)27(23(26)25)16-17-8-2-3-9-18(17)24;/h2-13,25H,14-16H2,1H3;1H/b25-23+;
InChIKeyAJDLSIDRTWJVKP-PHEASTCWSA-N
MW488.81 g/mol
LogP5.29
Rot. Bonds7

About 1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine;hydrobromide

1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine;hydrobromide (PubChem CID 2979174) has the molecular formula C23H23BrClN3O2 and a molecular weight of 488.81 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine;hydrobromide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine;hydrobromide
PubChem CID2979174
Molecular FormulaC23H23BrClN3O2
Molecular Weight488.81 g/mol
Exact Mass487.07
IUPAC Name1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\n(CCOc2ccccc2OC)c2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C23H22ClN3O2.BrH/c1-28-21-12-6-7-13-22(21)29-15-14-26-19-10-4-5-11-20(19)27(23(26)25)16-17-8-2-3-9-18(17)24;/h2-13,25H,14-16H2,1H3;1H/b25-23+;
InChIKeyAJDLSIDRTWJVKP-PHEASTCWSA-N
XLogP5.29
TPSA52.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.81
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine;hydrochloride
CID 163325463
1-butyl-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine
CID 2984680
1-butyl-3-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide
CID 2913926
2-[3-[2-(2-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride
CID 2931281
methyl 2-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]acetate
CID 780689
1-[2-(2-chlorophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine
CID 17272709
1-[2-(2-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine;hydrobromide
CID 2932291
1-butyl-3-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide
CID 2915886
1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol chloride
CID 53314658
1-[(4-methylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine
CID 1112929
1-[(2-chlorophenyl)methyl]-3-(6-chloropyridazin-3-yl)benzimidazol-2-imine
CID 88546934
1-[(2-fluorophenyl)methyl]-3-(2-naphthalen-2-yloxyethyl)benzimidazol-2-imine;hydrobromide
CID 163326365

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine;hydrobromide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine;hydrobromide (CID 2979174) is 1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine;hydrobromide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine;hydrobromide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine;hydrobromide is Br.[H]/N=c1\n(CCOc2ccccc2OC)c2ccccc2n1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine;hydrobromide?
The InChIKey is AJDLSIDRTWJVKP-PHEASTCWSA-N. The full InChI is InChI=1S/C23H22ClN3O2.BrH/c1-28-21-12-6-7-13-22(21)29-15-14-26-19-10-4-5-11-20(19)27(23(26)25)16-17-8-2-3-9-18(17)24;/h2-13,25H,14-16H2,1H3;1H/b25-23+;.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine;hydrobromide?
1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine;hydrobromide has a molecular weight of 488.81 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine;hydrobromide is sourced from PubChem (CID 2979174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).