2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole

C23H22N2O2 — CID 7574593

IUPAC2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole
SMILESC[C@@H](Oc1ccccc1)c1nc2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C23H22N2O2/c1-18(27-20-12-6-3-7-13-20)23-24-21-14-8-9-15-22(21)25(23)16-17-26-19-10-4-2-5-11-19/h2-15,18H,16-17H2,1H3/t18-/m1/s1
InChIKeyQUMYDBFAFPXMRM-GOSISDBHSA-N
MW358.44 g/mol
LogP5.26
Rot. Bonds7

About 2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole

2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole (PubChem CID 7574593) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole.

Molecular Properties

Compound Name2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole
PubChem CID7574593
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole
SMILESC[C@@H](Oc1ccccc1)c1nc2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C23H22N2O2/c1-18(27-20-12-6-3-7-13-20)23-24-21-14-8-9-15-22(21)25(23)16-17-26-19-10-4-2-5-11-19/h2-15,18H,16-17H2,1H3/t18-/m1/s1
InChIKeyQUMYDBFAFPXMRM-GOSISDBHSA-N
XLogP5.26
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,5-dimethylphenoxy)ethyl]-2-(1-phenoxyethyl)benzimidazole
CID 16998835
1-ethyl-2-(1-phenoxyethyl)benzimidazole
CID 2984876
2-[1-(4-chlorophenoxy)ethyl]-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole
CID 16998977
1-(2-phenoxyethyl)-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole
CID 40634309
2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-chlorophenoxy)ethyl]benzimidazole
CID 16998965
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(3-phenoxypropyl)benzimidazole
CID 16999141
2-[1-(4-chlorophenoxy)ethyl]-1-(2-ethoxyethyl)benzimidazole
CID 16999033
(1S)-1-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 962321
3-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]aniline
CID 82097902
2-[1-(3-methylphenoxy)ethyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 18877854
1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 16995352
(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propan-1-ol
CID 40699156

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole?
The IUPAC name of 2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole (CID 7574593) is 2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole.
What is the SMILES notation for 2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole?
The canonical SMILES for 2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole is C[C@@H](Oc1ccccc1)c1nc2ccccc2n1CCOc1ccccc1.
What is the InChIKey of 2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole?
The InChIKey is QUMYDBFAFPXMRM-GOSISDBHSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-18(27-20-12-6-3-7-13-20)23-24-21-14-8-9-15-22(21)25(23)16-17-26-19-10-4-2-5-11-19/h2-15,18H,16-17H2,1H3/t18-/m1/s1.
What are the key properties of 2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole?
2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole has a molecular weight of 358.44 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole is sourced from PubChem (CID 7574593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).