2-(2-bromophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole

C26H21BrN2O — CID 18879150

IUPAC2-(2-bromophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole
SMILESBrc1ccccc1-c1nc2ccccc2n1CCCOc1cccc2ccccc12
InChIInChI=1S/C26H21BrN2O/c27-22-13-4-3-12-21(22)26-28-23-14-5-6-15-24(23)29(26)17-8-18-30-25-16-7-10-19-9-1-2-11-20(19)25/h1-7,9-16H,8,17-18H2
InChIKeyAMJDGOQAELMXBN-UHFFFAOYSA-N
MW457.37 g/mol
LogP7.09
Rot. Bonds6

About 2-(2-bromophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole

2-(2-bromophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole (PubChem CID 18879150) has the molecular formula C26H21BrN2O and a molecular weight of 457.37 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole
PubChem CID18879150
Molecular FormulaC26H21BrN2O
Molecular Weight457.37 g/mol
Exact Mass456.08
IUPAC Name2-(2-bromophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole
SMILESBrc1ccccc1-c1nc2ccccc2n1CCCOc1cccc2ccccc12
InChIInChI=1S/C26H21BrN2O/c27-22-13-4-3-12-21(22)26-28-23-14-5-6-15-24(23)29(26)17-8-18-30-25-16-7-10-19-9-1-2-11-20(19)25/h1-7,9-16H,8,17-18H2
InChIKeyAMJDGOQAELMXBN-UHFFFAOYSA-N
XLogP7.09
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.37
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole
CID 16987769
2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propan-2-ol
CID 19242286
1-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethanol
CID 3160724
2-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 18878785
1-(3-naphthalen-1-yloxypropyl)-2-[(E)-2-phenylethenyl]benzimidazole
CID 18879223
2-(naphthalen-1-yloxymethyl)-1-(3-phenoxypropyl)benzimidazole
CID 3472678
2-(2-chlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole
CID 17002142
N-methylsulfonyl-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]benzamide
CID 155547270
1-[3-(2,5-dimethylphenoxy)propyl]-2-(2-methylphenyl)benzimidazole
CID 17000668
1-(4-naphthalen-1-yloxybutyl)-2-(2-phenylethyl)benzimidazole
CID 18879265
2-(3-bromophenyl)-1-[3-(2-methoxyphenoxy)propyl]benzimidazole
CID 17001877
2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propan-2-ol
CID 19242287

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole?
The IUPAC name of 2-(2-bromophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole (CID 18879150) is 2-(2-bromophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole.
What is the SMILES notation for 2-(2-bromophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole?
The canonical SMILES for 2-(2-bromophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole is Brc1ccccc1-c1nc2ccccc2n1CCCOc1cccc2ccccc12.
What is the InChIKey of 2-(2-bromophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole?
The InChIKey is AMJDGOQAELMXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21BrN2O/c27-22-13-4-3-12-21(22)26-28-23-14-5-6-15-24(23)29(26)17-8-18-30-25-16-7-10-19-9-1-2-11-20(19)25/h1-7,9-16H,8,17-18H2.
What are the key properties of 2-(2-bromophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole?
2-(2-bromophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole has a molecular weight of 457.37 g/mol, XLogP of 7.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole is sourced from PubChem (CID 18879150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).