1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole

C22H20N2O2 — CID 709525

IUPAC1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
SMILESc1ccc(OCCn2c(COc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C22H20N2O2/c1-3-9-18(10-4-1)25-16-15-24-21-14-8-7-13-20(21)23-22(24)17-26-19-11-5-2-6-12-19/h1-14H,15-17H2
InChIKeyPXPUUPDZKHCVCS-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.69
Rot. Bonds7

About 1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole

1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole (PubChem CID 709525) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole.

Molecular Properties

Compound Name1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
PubChem CID709525
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
SMILESc1ccc(OCCn2c(COc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C22H20N2O2/c1-3-9-18(10-4-1)25-16-15-24-21-14-8-7-13-20(21)23-22(24)17-26-19-11-5-2-6-12-19/h1-14H,15-17H2
InChIKeyPXPUUPDZKHCVCS-UHFFFAOYSA-N
XLogP4.69
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 3326466
2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine
CID 28752967
1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852
1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997881
1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole
CID 16998482
1-(4-naphthalen-2-yloxybutyl)-2-(phenoxymethyl)benzimidazole
CID 18879280
4-[2-(phenoxymethyl)benzimidazol-1-yl]butan-1-amine
CID 82144770
2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879299
1-benzyl-2-(phenoxymethyl)benzimidazole
CID 712249
2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16997088
2-(phenoxymethyl)-1-(2-piperidin-1-ylethyl)benzimidazole
CID 112828549
4-[2-(phenoxymethyl)benzimidazol-1-yl]butanenitrile
CID 82150424

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole?
The IUPAC name of 1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole (CID 709525) is 1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole.
What is the SMILES notation for 1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole?
The canonical SMILES for 1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole is c1ccc(OCCn2c(COc3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole?
The InChIKey is PXPUUPDZKHCVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-3-9-18(10-4-1)25-16-15-24-21-14-8-7-13-20(21)23-22(24)17-26-19-11-5-2-6-12-19/h1-14H,15-17H2.
What are the key properties of 1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole?
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole has a molecular weight of 344.41 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole is sourced from PubChem (CID 709525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).