1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole

C22H20N2O2 — CID 17000523

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
SMILESCOc1ccc(OCCn2c(-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C22H20N2O2/c1-25-18-11-13-19(14-12-18)26-16-15-24-21-10-6-5-9-20(21)23-22(24)17-7-3-2-4-8-17/h2-14H,15-16H2,1H3
InChIKeyNNAXMKBDIYWYDQ-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.79
Rot. Bonds6

About 1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole

1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole (PubChem CID 17000523) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
PubChem CID17000523
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
SMILESCOc1ccc(OCCn2c(-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C22H20N2O2/c1-25-18-11-13-19(14-12-18)26-16-15-24-21-10-6-5-9-20(21)23-22(24)17-7-3-2-4-8-17/h2-14H,15-16H2,1H3
InChIKeyNNAXMKBDIYWYDQ-UHFFFAOYSA-N
XLogP4.79
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879179
2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 17001320
2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 17001216
1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole
CID 3507993
1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001345
2-(2-phenylbenzimidazol-1-yl)ethyl 4-methoxybenzoate
CID 58974418
2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879176
2-tert-butyl-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 17000405
2-(2,4-dimethylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 16987578
2-(4-bromophenyl)-1-[2-(4-ethylphenoxy)ethyl]benzimidazole
CID 17001185
2-(3,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 17001455
1-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001717

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole (CID 17000523) is 1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole is COc1ccc(OCCn2c(-c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole?
The InChIKey is NNAXMKBDIYWYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-25-18-11-13-19(14-12-18)26-16-15-24-21-10-6-5-9-20(21)23-22(24)17-7-3-2-4-8-17/h2-14H,15-16H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole?
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole has a molecular weight of 344.41 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole is sourced from PubChem (CID 17000523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).