2-[3-[2-(2-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride

C17H19Cl2N3O2 — CID 2931281

IUPAC2-[3-[2-(2-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride
SMILESCl.[H]/N=c1\n(CCO)c2ccccc2n1CCOc1ccccc1Cl
InChIInChI=1S/C17H18ClN3O2.ClH/c18-13-5-1-4-8-16(13)23-12-10-21-15-7-3-2-6-14(15)20(9-11-22)17(21)19;/h1-8,19,22H,9-12H2;1H/b19-17+;
InChIKeyJIFANOTXWMXEHC-ZJSKVYKZSA-N
MW368.26 g/mol
LogP3.07
Rot. Bonds6

About 2-[3-[2-(2-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride

2-[3-[2-(2-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride (PubChem CID 2931281) has the molecular formula C17H19Cl2N3O2 and a molecular weight of 368.26 g/mol. Its IUPAC name is 2-[3-[2-(2-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[3-[2-(2-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride
PubChem CID2931281
Molecular FormulaC17H19Cl2N3O2
Molecular Weight368.26 g/mol
Exact Mass367.09
IUPAC Name2-[3-[2-(2-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride
SMILESCl.[H]/N=c1\n(CCO)c2ccccc2n1CCOc1ccccc1Cl
InChIInChI=1S/C17H18ClN3O2.ClH/c18-13-5-1-4-8-16(13)23-12-10-21-15-7-3-2-6-14(15)20(9-11-22)17(21)19;/h1-8,19,22H,9-12H2;1H/b19-17+;
InChIKeyJIFANOTXWMXEHC-ZJSKVYKZSA-N
XLogP3.07
TPSA63.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-3-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide
CID 2913926
1-[2-(2-chlorophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine
CID 17272709
1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine;hydrobromide
CID 2979174
2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride
CID 2857928
1-[(2-chlorophenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine;hydrochloride
CID 163325463
1-butyl-3-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide
CID 2915886
1-[2-(2-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine;hydrobromide
CID 2932291
1-butyl-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine
CID 2984680
1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3778765
2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride
CID 2932270
1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine
CID 762258
1-[2-(4-bromophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine
CID 17272705

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride?
The IUPAC name of 2-[3-[2-(2-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride (CID 2931281) is 2-[3-[2-(2-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[3-[2-(2-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[3-[2-(2-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride is Cl.[H]/N=c1\n(CCO)c2ccccc2n1CCOc1ccccc1Cl.
What is the InChIKey of 2-[3-[2-(2-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride?
The InChIKey is JIFANOTXWMXEHC-ZJSKVYKZSA-N. The full InChI is InChI=1S/C17H18ClN3O2.ClH/c18-13-5-1-4-8-16(13)23-12-10-21-15-7-3-2-6-14(15)20(9-11-22)17(21)19;/h1-8,19,22H,9-12H2;1H/b19-17+;.
What are the key properties of 2-[3-[2-(2-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride?
2-[3-[2-(2-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride has a molecular weight of 368.26 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 2931281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).