2-(3-bromophenyl)-1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazole

C23H21BrN2O — CID 17001892

IUPAC2-(3-bromophenyl)-1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazole
SMILESCc1ccc(OCCn2c(-c3cccc(Br)c3)nc3ccccc32)cc1C
InChIInChI=1S/C23H21BrN2O/c1-16-10-11-20(14-17(16)2)27-13-12-26-22-9-4-3-8-21(22)25-23(26)18-6-5-7-19(24)15-18/h3-11,14-15H,12-13H2,1-2H3
InChIKeyGQIMBKBMNRUAKZ-UHFFFAOYSA-N
MW421.34 g/mol
LogP6.16
Rot. Bonds5

About 2-(3-bromophenyl)-1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazole

2-(3-bromophenyl)-1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazole (PubChem CID 17001892) has the molecular formula C23H21BrN2O and a molecular weight of 421.34 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazole
PubChem CID17001892
Molecular FormulaC23H21BrN2O
Molecular Weight421.34 g/mol
Exact Mass420.08
IUPAC Name2-(3-bromophenyl)-1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazole
SMILESCc1ccc(OCCn2c(-c3cccc(Br)c3)nc3ccccc32)cc1C
InChIInChI=1S/C23H21BrN2O/c1-16-10-11-20(14-17(16)2)27-13-12-26-22-9-4-3-8-21(22)25-23(26)18-6-5-7-19(24)15-18/h3-11,14-15H,12-13H2,1-2H3
InChIKeyGQIMBKBMNRUAKZ-UHFFFAOYSA-N
XLogP6.16
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.34
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879114
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
CID 17000788
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole
CID 17002010
2-(3-bromophenyl)-1-[3-(2-methoxyphenoxy)propyl]benzimidazole
CID 17001877
2-(3-bromophenyl)-1-[4-(2-methoxyphenoxy)butyl]benzimidazole
CID 17001900
2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 17001320
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523
1-[2-(4-chlorophenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole
CID 17002011
1-[2-(3,4-dimethylphenoxy)ethyl]-2-(methoxymethyl)benzimidazole
CID 16996918
2-(4-methoxyphenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879179
1-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001717
2-(4-bromophenyl)-1-[2-(4-ethylphenoxy)ethyl]benzimidazole
CID 17001185

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-(3-bromophenyl)-1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazole (CID 17001892) is 2-(3-bromophenyl)-1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-(3-bromophenyl)-1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-(3-bromophenyl)-1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazole is Cc1ccc(OCCn2c(-c3cccc(Br)c3)nc3ccccc32)cc1C.
What is the InChIKey of 2-(3-bromophenyl)-1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazole?
The InChIKey is GQIMBKBMNRUAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O/c1-16-10-11-20(14-17(16)2)27-13-12-26-22-9-4-3-8-21(22)25-23(26)18-6-5-7-19(24)15-18/h3-11,14-15H,12-13H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazole?
2-(3-bromophenyl)-1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazole has a molecular weight of 421.34 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 17001892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).