1-[(2-fluorophenyl)methyl]-3-(2-naphthalen-2-yloxyethyl)benzimidazol-2-imine;hydrobromide

C26H23BrFN3O — CID 163326365

IUPAC1-[(2-fluorophenyl)methyl]-3-(2-naphthalen-2-yloxyethyl)benzimidazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1/n(CCOc2ccc3ccccc3c2)c2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C26H22FN3O.BrH/c27-23-10-4-3-9-21(23)18-30-25-12-6-5-11-24(25)29(26(30)28)15-16-31-22-14-13-19-7-1-2-8-20(19)17-22;/h1-14,17,28H,15-16,18H2;1H/b28-26-;
InChIKeyPBIWBINAZAALTM-QVLVYXDLSA-N
MW492.39 g/mol
LogP5.92
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-3-(2-naphthalen-2-yloxyethyl)benzimidazol-2-imine;hydrobromide

1-[(2-fluorophenyl)methyl]-3-(2-naphthalen-2-yloxyethyl)benzimidazol-2-imine;hydrobromide (PubChem CID 163326365) has the molecular formula C26H23BrFN3O and a molecular weight of 492.39 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-(2-naphthalen-2-yloxyethyl)benzimidazol-2-imine;hydrobromide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-(2-naphthalen-2-yloxyethyl)benzimidazol-2-imine;hydrobromide
PubChem CID163326365
Molecular FormulaC26H23BrFN3O
Molecular Weight492.39 g/mol
Exact Mass491.10
IUPAC Name1-[(2-fluorophenyl)methyl]-3-(2-naphthalen-2-yloxyethyl)benzimidazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1/n(CCOc2ccc3ccccc3c2)c2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C26H22FN3O.BrH/c27-23-10-4-3-9-21(23)18-30-25-12-6-5-11-24(25)29(26(30)28)15-16-31-22-14-13-19-7-1-2-8-20(19)17-22;/h1-14,17,28H,15-16,18H2;1H/b28-26-;
InChIKeyPBIWBINAZAALTM-QVLVYXDLSA-N
XLogP5.92
TPSA42.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.39
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(2-naphthalen-2-yloxyethyl)benzimidazol-2-imine;hydroiodide
CID 52997856
2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol
CID 752886
2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride
CID 2932270
2-[2-imino-3-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanamine
CID 118054062
1-[(2-chlorophenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine;hydrochloride
CID 163325463
1-[3-(4-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]benzimidazol-2-imine
CID 17272675
1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3778765
1-benzyl-3-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-imine
CID 1050683
1-[(4-methylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine
CID 1112929
1-[2-(4-methoxyphenoxy)ethyl]-3-prop-2-enylbenzimidazol-2-imine;hydrobromide
CID 2916413
1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine;hydrobromide
CID 2979174
1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine
CID 762258

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(2-naphthalen-2-yloxyethyl)benzimidazol-2-imine;hydrobromide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(2-naphthalen-2-yloxyethyl)benzimidazol-2-imine;hydrobromide (CID 163326365) is 1-[(2-fluorophenyl)methyl]-3-(2-naphthalen-2-yloxyethyl)benzimidazol-2-imine;hydrobromide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-(2-naphthalen-2-yloxyethyl)benzimidazol-2-imine;hydrobromide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-(2-naphthalen-2-yloxyethyl)benzimidazol-2-imine;hydrobromide is Br.[H]/N=c1/n(CCOc2ccc3ccccc3c2)c2ccccc2n1Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-(2-naphthalen-2-yloxyethyl)benzimidazol-2-imine;hydrobromide?
The InChIKey is PBIWBINAZAALTM-QVLVYXDLSA-N. The full InChI is InChI=1S/C26H22FN3O.BrH/c27-23-10-4-3-9-21(23)18-30-25-12-6-5-11-24(25)29(26(30)28)15-16-31-22-14-13-19-7-1-2-8-20(19)17-22;/h1-14,17,28H,15-16,18H2;1H/b28-26-;.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-(2-naphthalen-2-yloxyethyl)benzimidazol-2-imine;hydrobromide?
1-[(2-fluorophenyl)methyl]-3-(2-naphthalen-2-yloxyethyl)benzimidazol-2-imine;hydrobromide has a molecular weight of 492.39 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-(2-naphthalen-2-yloxyethyl)benzimidazol-2-imine;hydrobromide is sourced from PubChem (CID 163326365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).