2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole

C23H21BrN2O2 — CID 17001216

IUPAC2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
SMILESCOc1ccc(OCCCn2c(-c3ccc(Br)cc3)nc3ccccc32)cc1
InChIInChI=1S/C23H21BrN2O2/c1-27-19-11-13-20(14-12-19)28-16-4-15-26-22-6-3-2-5-21(22)25-23(26)17-7-9-18(24)10-8-17/h2-3,5-14H,4,15-16H2,1H3
InChIKeyWUGYAPMVIVVRQF-UHFFFAOYSA-N
MW437.34 g/mol
LogP5.94
Rot. Bonds7

About 2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole

2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole (PubChem CID 17001216) has the molecular formula C23H21BrN2O2 and a molecular weight of 437.34 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
PubChem CID17001216
Molecular FormulaC23H21BrN2O2
Molecular Weight437.34 g/mol
Exact Mass436.08
IUPAC Name2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
SMILESCOc1ccc(OCCCn2c(-c3ccc(Br)cc3)nc3ccccc32)cc1
InChIInChI=1S/C23H21BrN2O2/c1-27-19-11-13-20(14-12-19)28-16-4-15-26-22-6-3-2-5-21(22)25-23(26)17-7-9-18(24)10-8-17/h2-3,5-14H,4,15-16H2,1H3
InChIKeyWUGYAPMVIVVRQF-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001345
2-(4-bromophenyl)-1-[3-(4-butan-2-ylphenoxy)propyl]benzimidazole
CID 17001214
2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879176
2-(3,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 17001455
2-(4-bromophenyl)-1-[2-(4-ethylphenoxy)ethyl]benzimidazole
CID 17001185
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523
1-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001335
1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001362
2-(4-bromophenyl)-1-pentylbenzimidazole
CID 17001128
2-(4-methoxyphenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879179
2-(4-tert-butylphenyl)-1-[3-(4-chlorophenoxy)propyl]benzimidazole
CID 84571493
2-(4-bromophenyl)-1-undecylbenzimidazole
CID 17001134

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole?
The IUPAC name of 2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole (CID 17001216) is 2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole.
What is the SMILES notation for 2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole?
The canonical SMILES for 2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole is COc1ccc(OCCCn2c(-c3ccc(Br)cc3)nc3ccccc32)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole?
The InChIKey is WUGYAPMVIVVRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O2/c1-27-19-11-13-20(14-12-19)28-16-4-15-26-22-6-3-2-5-21(22)25-23(26)17-7-9-18(24)10-8-17/h2-3,5-14H,4,15-16H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole?
2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]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-[3-(4-methoxyphenoxy)propyl]benzimidazole is sourced from PubChem (CID 17001216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).