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

C23H21BrN2O2 — CID 17001877

IUPAC2-(3-bromophenyl)-1-[3-(2-methoxyphenoxy)propyl]benzimidazole
SMILESCOc1ccccc1OCCCn1c(-c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C23H21BrN2O2/c1-27-21-12-4-5-13-22(21)28-15-7-14-26-20-11-3-2-10-19(20)25-23(26)17-8-6-9-18(24)16-17/h2-6,8-13,16H,7,14-15H2,1H3
InChIKeyAYDWBDIMYLHYJN-UHFFFAOYSA-N
MW437.34 g/mol
LogP5.94
Rot. Bonds7

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

2-(3-bromophenyl)-1-[3-(2-methoxyphenoxy)propyl]benzimidazole (PubChem CID 17001877) has the molecular formula C23H21BrN2O2 and a molecular weight of 437.34 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-[3-(2-methoxyphenoxy)propyl]benzimidazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-[3-(2-methoxyphenoxy)propyl]benzimidazole
PubChem CID17001877
Molecular FormulaC23H21BrN2O2
Molecular Weight437.34 g/mol
Exact Mass436.08
IUPAC Name2-(3-bromophenyl)-1-[3-(2-methoxyphenoxy)propyl]benzimidazole
SMILESCOc1ccccc1OCCCn1c(-c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C23H21BrN2O2/c1-27-21-12-4-5-13-22(21)28-15-7-14-26-20-11-3-2-10-19(20)25-23(26)17-8-6-9-18(24)16-17/h2-6,8-13,16H,7,14-15H2,1H3
InChIKeyAYDWBDIMYLHYJN-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

2-(3-bromophenyl)-1-[4-(2-methoxyphenoxy)butyl]benzimidazole
CID 17001900
1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole
CID 17000531
1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
CID 17000783
2-(3-bromophenyl)-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazole
CID 18879111
1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001362
2-(3-methoxyphenyl)-1-[4-(2-methylphenoxy)butyl]benzimidazole
CID 17001768
2-(3-bromophenyl)-1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazole
CID 17001892
2-(3,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 17001455
2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 17000802
2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 17002021
1-[3-(2,4-dimethylphenoxy)propyl]-2-(3-methylphenyl)benzimidazole
CID 17000799
2-(3-bromophenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879114

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-[3-(2-methoxyphenoxy)propyl]benzimidazole?
The IUPAC name of 2-(3-bromophenyl)-1-[3-(2-methoxyphenoxy)propyl]benzimidazole (CID 17001877) is 2-(3-bromophenyl)-1-[3-(2-methoxyphenoxy)propyl]benzimidazole.
What is the SMILES notation for 2-(3-bromophenyl)-1-[3-(2-methoxyphenoxy)propyl]benzimidazole?
The canonical SMILES for 2-(3-bromophenyl)-1-[3-(2-methoxyphenoxy)propyl]benzimidazole is COc1ccccc1OCCCn1c(-c2cccc(Br)c2)nc2ccccc21.
What is the InChIKey of 2-(3-bromophenyl)-1-[3-(2-methoxyphenoxy)propyl]benzimidazole?
The InChIKey is AYDWBDIMYLHYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O2/c1-27-21-12-4-5-13-22(21)28-15-7-14-26-20-11-3-2-10-19(20)25-23(26)17-8-6-9-18(24)16-17/h2-6,8-13,16H,7,14-15H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-[3-(2-methoxyphenoxy)propyl]benzimidazole?
2-(3-bromophenyl)-1-[3-(2-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-(3-bromophenyl)-1-[3-(2-methoxyphenoxy)propyl]benzimidazole is sourced from PubChem (CID 17001877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).