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

C23H21BrN2O — CID 17001185

IUPAC2-(4-bromophenyl)-1-[2-(4-ethylphenoxy)ethyl]benzimidazole
SMILESCCc1ccc(OCCn2c(-c3ccc(Br)cc3)nc3ccccc32)cc1
InChIInChI=1S/C23H21BrN2O/c1-2-17-7-13-20(14-8-17)27-16-15-26-22-6-4-3-5-21(22)25-23(26)18-9-11-19(24)12-10-18/h3-14H,2,15-16H2,1H3
InChIKeyARPCKCCFHHUEAA-UHFFFAOYSA-N
MW421.34 g/mol
LogP6.11
Rot. Bonds6

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

2-(4-bromophenyl)-1-[2-(4-ethylphenoxy)ethyl]benzimidazole (PubChem CID 17001185) has the molecular formula C23H21BrN2O and a molecular weight of 421.34 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[2-(4-ethylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-[2-(4-ethylphenoxy)ethyl]benzimidazole
PubChem CID17001185
Molecular FormulaC23H21BrN2O
Molecular Weight421.34 g/mol
Exact Mass420.08
IUPAC Name2-(4-bromophenyl)-1-[2-(4-ethylphenoxy)ethyl]benzimidazole
SMILESCCc1ccc(OCCn2c(-c3ccc(Br)cc3)nc3ccccc32)cc1
InChIInChI=1S/C23H21BrN2O/c1-2-17-7-13-20(14-8-17)27-16-15-26-22-6-4-3-5-21(22)25-23(26)18-9-11-19(24)12-10-18/h3-14H,2,15-16H2,1H3
InChIKeyARPCKCCFHHUEAA-UHFFFAOYSA-N
XLogP6.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.34
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 17001216
2-(4-bromophenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole
CID 17001175
2-(4-bromophenyl)-1-[3-(4-butan-2-ylphenoxy)propyl]benzimidazole
CID 17001214
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523
1-[4-(4-ethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole
CID 17000838
2-(4-bromophenyl)-1-pentylbenzimidazole
CID 17001128
2-(4-methoxyphenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879179
4-bromo-N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009369
1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 16995352
1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole
CID 16998482
2-(4-bromophenyl)-1-decylbenzimidazole
CID 17001133
2-(4-bromophenyl)-1-undecylbenzimidazole
CID 17001134

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-[2-(4-ethylphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-(4-bromophenyl)-1-[2-(4-ethylphenoxy)ethyl]benzimidazole (CID 17001185) is 2-(4-bromophenyl)-1-[2-(4-ethylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-(4-bromophenyl)-1-[2-(4-ethylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-(4-bromophenyl)-1-[2-(4-ethylphenoxy)ethyl]benzimidazole is CCc1ccc(OCCn2c(-c3ccc(Br)cc3)nc3ccccc32)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-[2-(4-ethylphenoxy)ethyl]benzimidazole?
The InChIKey is ARPCKCCFHHUEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O/c1-2-17-7-13-20(14-8-17)27-16-15-26-22-6-4-3-5-21(22)25-23(26)18-9-11-19(24)12-10-18/h3-14H,2,15-16H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-[2-(4-ethylphenoxy)ethyl]benzimidazole?
2-(4-bromophenyl)-1-[2-(4-ethylphenoxy)ethyl]benzimidazole has a molecular weight of 421.34 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-[2-(4-ethylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 17001185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).