2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole

C27H24N2O2 — CID 18879176

IUPAC2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3n2CCCOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C27H24N2O2/c1-30-23-14-12-21(13-15-23)27-28-25-9-4-5-10-26(25)29(27)17-6-18-31-24-16-11-20-7-2-3-8-22(20)19-24/h2-5,7-16,19H,6,17-18H2,1H3
InChIKeyVOQBKYZQAGHHCI-UHFFFAOYSA-N
MW408.50 g/mol
LogP6.33
Rot. Bonds7

About 2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole

2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole (PubChem CID 18879176) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
PubChem CID18879176
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC Name2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3n2CCCOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C27H24N2O2/c1-30-23-14-12-21(13-15-23)27-28-25-9-4-5-10-26(25)29(27)17-6-18-31-24-16-11-20-7-2-3-8-22(20)19-24/h2-5,7-16,19H,6,17-18H2,1H3
InChIKeyVOQBKYZQAGHHCI-UHFFFAOYSA-N
XLogP6.33
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
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-(4-methoxyphenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879179
2-(3-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 17001765
1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001345
2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 17001216
2-(3,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 17001455
1-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001335
2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 17001320
2-[(4-methoxyphenyl)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879090
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523
1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001362
1-[3-(4-chloro-3-methylphenoxy)propyl]-2-(3,4-dimethoxyphenyl)benzimidazole
CID 17001450
1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole
CID 3507993

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole?
The IUPAC name of 2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole (CID 18879176) is 2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole is COc1ccc(-c2nc3ccccc3n2CCCOc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole?
The InChIKey is VOQBKYZQAGHHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c1-30-23-14-12-21(13-15-23)27-28-25-9-4-5-10-26(25)29(27)17-6-18-31-24-16-11-20-7-2-3-8-22(20)19-24/h2-5,7-16,19H,6,17-18H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole?
2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole has a molecular weight of 408.50 g/mol, XLogP of 6.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole is sourced from PubChem (CID 18879176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).