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

C24H23BrN2O2 — CID 17001900

IUPAC2-(3-bromophenyl)-1-[4-(2-methoxyphenoxy)butyl]benzimidazole
SMILESCOc1ccccc1OCCCCn1c(-c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C24H23BrN2O2/c1-28-22-13-4-5-14-23(22)29-16-7-6-15-27-21-12-3-2-11-20(21)26-24(27)18-9-8-10-19(25)17-18/h2-5,8-14,17H,6-7,15-16H2,1H3
InChIKeyOQKMFOPSCKKRLU-UHFFFAOYSA-N
MW451.36 g/mol
LogP6.33
Rot. Bonds8

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

2-(3-bromophenyl)-1-[4-(2-methoxyphenoxy)butyl]benzimidazole (PubChem CID 17001900) has the molecular formula C24H23BrN2O2 and a molecular weight of 451.36 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-[4-(2-methoxyphenoxy)butyl]benzimidazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-[4-(2-methoxyphenoxy)butyl]benzimidazole
PubChem CID17001900
Molecular FormulaC24H23BrN2O2
Molecular Weight451.36 g/mol
Exact Mass450.09
IUPAC Name2-(3-bromophenyl)-1-[4-(2-methoxyphenoxy)butyl]benzimidazole
SMILESCOc1ccccc1OCCCCn1c(-c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C24H23BrN2O2/c1-28-22-13-4-5-14-23(22)29-16-7-6-15-27-21-12-3-2-11-20(21)26-24(27)18-9-8-10-19(25)17-18/h2-5,8-14,17H,6-7,15-16H2,1H3
InChIKeyOQKMFOPSCKKRLU-UHFFFAOYSA-N
XLogP6.33
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.36
LogP ≤ 56.33
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-[3-(2-methoxyphenoxy)propyl]benzimidazole
CID 17001877
1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole
CID 17000531
1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
CID 17000783
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-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazole
CID 18879111
2-(3,4-dimethoxyphenyl)-1-[4-(2,4-dimethylphenoxy)butyl]benzimidazole
CID 17001460
2-(3-bromophenyl)-1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazole
CID 17001892
1-[4-(2,4-dimethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole
CID 17000824
2-(4-bromophenyl)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazole
CID 17001231
1-[4-(2-chlorophenoxy)butyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 17001619
1-[4-(2-propan-2-ylphenoxy)butyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 17001614

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-[4-(2-methoxyphenoxy)butyl]benzimidazole?
The IUPAC name of 2-(3-bromophenyl)-1-[4-(2-methoxyphenoxy)butyl]benzimidazole (CID 17001900) is 2-(3-bromophenyl)-1-[4-(2-methoxyphenoxy)butyl]benzimidazole.
What is the SMILES notation for 2-(3-bromophenyl)-1-[4-(2-methoxyphenoxy)butyl]benzimidazole?
The canonical SMILES for 2-(3-bromophenyl)-1-[4-(2-methoxyphenoxy)butyl]benzimidazole is COc1ccccc1OCCCCn1c(-c2cccc(Br)c2)nc2ccccc21.
What is the InChIKey of 2-(3-bromophenyl)-1-[4-(2-methoxyphenoxy)butyl]benzimidazole?
The InChIKey is OQKMFOPSCKKRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O2/c1-28-22-13-4-5-14-23(22)29-16-7-6-15-27-21-12-3-2-11-20(21)26-24(27)18-9-8-10-19(25)17-18/h2-5,8-14,17H,6-7,15-16H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-[4-(2-methoxyphenoxy)butyl]benzimidazole?
2-(3-bromophenyl)-1-[4-(2-methoxyphenoxy)butyl]benzimidazole has a molecular weight of 451.36 g/mol, XLogP of 6.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-[4-(2-methoxyphenoxy)butyl]benzimidazole is sourced from PubChem (CID 17001900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).