2-(4-bromophenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole

C23H21BrN2O2 — CID 17001175

IUPAC2-(4-bromophenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole
SMILESCCOc1ccccc1OCCn1c(-c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C23H21BrN2O2/c1-2-27-21-9-5-6-10-22(21)28-16-15-26-20-8-4-3-7-19(20)25-23(26)17-11-13-18(24)14-12-17/h3-14H,2,15-16H2,1H3
InChIKeyGDOBJXLRJRZNAL-UHFFFAOYSA-N
MW437.34 g/mol
LogP5.94
Rot. Bonds7

About 2-(4-bromophenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole

2-(4-bromophenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole (PubChem CID 17001175) has the molecular formula C23H21BrN2O2 and a molecular weight of 437.34 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole
PubChem CID17001175
Molecular FormulaC23H21BrN2O2
Molecular Weight437.34 g/mol
Exact Mass436.08
IUPAC Name2-(4-bromophenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole
SMILESCCOc1ccccc1OCCn1c(-c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C23H21BrN2O2/c1-2-27-21-9-5-6-10-22(21)28-16-15-26-20-8-4-3-7-19(20)25-23(26)17-11-13-18(24)14-12-17/h3-14H,2,15-16H2,1H3
InChIKeyGDOBJXLRJRZNAL-UHFFFAOYSA-N
XLogP5.94
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.34
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-1-[2-(4-ethylphenoxy)ethyl]benzimidazole
CID 17001185
2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole
CID 17001033
2-(4-bromophenyl)-1-pentylbenzimidazole
CID 17001128
2-(2,4-dimethylphenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole
CID 16987564
2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 17001216
2-(4-bromophenyl)-1-decylbenzimidazole
CID 17001133
2-(4-bromophenyl)-1-undecylbenzimidazole
CID 17001134
1-[2-(2,3-dimethylphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000504
1-[2-(2-ethoxyphenoxy)ethyl]-2-propan-2-ylbenzimidazole
CID 16996515
[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methanol
CID 16995292
4-bromo-N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009197
1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole
CID 17000531

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-(4-bromophenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole (CID 17001175) is 2-(4-bromophenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-(4-bromophenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-(4-bromophenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole is CCOc1ccccc1OCCn1c(-c2ccc(Br)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-bromophenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole?
The InChIKey is GDOBJXLRJRZNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O2/c1-2-27-21-9-5-6-10-22(21)28-16-15-26-20-8-4-3-7-19(20)25-23(26)17-11-13-18(24)14-12-17/h3-14H,2,15-16H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole?
2-(4-bromophenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole has a molecular weight of 437.34 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 17001175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).