1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine

C17H19N3O — CID 762258

IUPAC1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine
SMILES[H]/N=c1\n(CC)c2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C17H19N3O/c1-2-19-15-10-6-7-11-16(15)20(17(19)18)12-13-21-14-8-4-3-5-9-14/h3-11,18H,2,12-13H2,1H3/b18-17+
InChIKeyUBLGXARNLUJVJS-ISLYRVAYSA-N
MW281.36 g/mol
LogP3.02
Rot. Bonds5

About 1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine

1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine (PubChem CID 762258) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine.

Molecular Properties

Compound Name1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine
PubChem CID762258
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine
SMILES[H]/N=c1\n(CC)c2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C17H19N3O/c1-2-19-15-10-6-7-11-16(15)20(17(19)18)12-13-21-14-8-4-3-5-9-14/h3-11,18H,2,12-13H2,1H3/b18-17+
InChIKeyUBLGXARNLUJVJS-ISLYRVAYSA-N
XLogP3.02
TPSA42.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[3-(4-fluorophenoxy)propyl]benzimidazol-2-imine
CID 22332685
1-ethyl-3-[3-(4-fluorophenoxy)propyl]benzimidazol-2-imine;hydrochloride
CID 146051181
1-[(4-methylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine
CID 1112929
1-[2-(4-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3356244
1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3778765
1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-imine
CID 1043068
1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide
CID 52997879
1-benzyl-3-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-imine
CID 1050683
1-[(2-chlorophenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine;hydrochloride
CID 163325463
2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride
CID 2857928
1-[2-(4-methoxyphenoxy)ethyl]-3-prop-2-enylbenzimidazol-2-imine
CID 798717
2-[3-[2-(4-bromophenoxy)ethyl]-2-iminobenzimidazol-1-yl]-N,N-diethylethanamine;hydrobromide
CID 146051177

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine?
The IUPAC name of 1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine (CID 762258) is 1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine.
What is the SMILES notation for 1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine?
The canonical SMILES for 1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine is [H]/N=c1\n(CC)c2ccccc2n1CCOc1ccccc1.
What is the InChIKey of 1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine?
The InChIKey is UBLGXARNLUJVJS-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-19-15-10-6-7-11-16(15)20(17(19)18)12-13-21-14-8-4-3-5-9-14/h3-11,18H,2,12-13H2,1H3/b18-17+.
What are the key properties of 1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine?
1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine has a molecular weight of 281.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine is sourced from PubChem (CID 762258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).