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

C25H19BrN2O — CID 18879114

IUPAC2-(3-bromophenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole
SMILESBrc1cccc(-c2nc3ccccc3n2CCOc2ccc3ccccc3c2)c1
InChIInChI=1S/C25H19BrN2O/c26-21-9-5-8-20(16-21)25-27-23-10-3-4-11-24(23)28(25)14-15-29-22-13-12-18-6-1-2-7-19(18)17-22/h1-13,16-17H,14-15H2
InChIKeyGAHSTMQKWHGSGP-UHFFFAOYSA-N
MW443.34 g/mol
LogP6.70
Rot. Bonds5

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

2-(3-bromophenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole (PubChem CID 18879114) has the molecular formula C25H19BrN2O and a molecular weight of 443.34 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole
PubChem CID18879114
Molecular FormulaC25H19BrN2O
Molecular Weight443.34 g/mol
Exact Mass442.07
IUPAC Name2-(3-bromophenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole
SMILESBrc1cccc(-c2nc3ccccc3n2CCOc2ccc3ccccc3c2)c1
InChIInChI=1S/C25H19BrN2O/c26-21-9-5-8-20(16-21)25-27-23-10-3-4-11-24(23)28(25)14-15-29-22-13-12-18-6-1-2-7-19(18)17-22/h1-13,16-17H,14-15H2
InChIKeyGAHSTMQKWHGSGP-UHFFFAOYSA-N
XLogP6.70
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.34
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazole
CID 17001892
2-(4-methoxyphenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879179
2-(3-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 17001765
2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879176
1-[2-(4-chlorophenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole
CID 17002011
2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 17001320
2-(3-bromophenyl)-1-[3-(2-methoxyphenoxy)propyl]benzimidazole
CID 17001877
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-[4-(2-methoxyphenoxy)butyl]benzimidazole
CID 17001900
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523
2-(3-bromophenyl)-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazole
CID 18879111

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole?
The IUPAC name of 2-(3-bromophenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole (CID 18879114) is 2-(3-bromophenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole.
What is the SMILES notation for 2-(3-bromophenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole?
The canonical SMILES for 2-(3-bromophenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole is Brc1cccc(-c2nc3ccccc3n2CCOc2ccc3ccccc3c2)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole?
The InChIKey is GAHSTMQKWHGSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BrN2O/c26-21-9-5-8-20(16-21)25-27-23-10-3-4-11-24(23)28(25)14-15-29-22-13-12-18-6-1-2-7-19(18)17-22/h1-13,16-17H,14-15H2.
What are the key properties of 2-(3-bromophenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole?
2-(3-bromophenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole has a molecular weight of 443.34 g/mol, XLogP of 6.70, 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-naphthalen-2-yloxyethyl)benzimidazole is sourced from PubChem (CID 18879114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).