1-(3-naphthalen-2-yloxypropyl)-2-[(4-phenylphenyl)methyl]benzimidazole

C33H28N2O — CID 16987446

IUPAC1-(3-naphthalen-2-yloxypropyl)-2-[(4-phenylphenyl)methyl]benzimidazole
SMILESc1ccc(-c2ccc(Cc3nc4ccccc4n3CCCOc3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C33H28N2O/c1-2-9-26(10-3-1)28-17-15-25(16-18-28)23-33-34-31-13-6-7-14-32(31)35(33)21-8-22-36-30-20-19-27-11-4-5-12-29(27)24-30/h1-7,9-20,24H,8,21-23H2
InChIKeyJJUQGWPRWZPRLC-UHFFFAOYSA-N
MW468.60 g/mol
LogP7.92
Rot. Bonds8

About 1-(3-naphthalen-2-yloxypropyl)-2-[(4-phenylphenyl)methyl]benzimidazole

1-(3-naphthalen-2-yloxypropyl)-2-[(4-phenylphenyl)methyl]benzimidazole (PubChem CID 16987446) has the molecular formula C33H28N2O and a molecular weight of 468.60 g/mol. Its IUPAC name is 1-(3-naphthalen-2-yloxypropyl)-2-[(4-phenylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name1-(3-naphthalen-2-yloxypropyl)-2-[(4-phenylphenyl)methyl]benzimidazole
PubChem CID16987446
Molecular FormulaC33H28N2O
Molecular Weight468.60 g/mol
Exact Mass468.22
IUPAC Name1-(3-naphthalen-2-yloxypropyl)-2-[(4-phenylphenyl)methyl]benzimidazole
SMILESc1ccc(-c2ccc(Cc3nc4ccccc4n3CCCOc3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C33H28N2O/c1-2-9-26(10-3-1)28-17-15-25(16-18-28)23-33-34-31-13-6-7-14-32(31)35(33)21-8-22-36-30-20-19-27-11-4-5-12-29(27)24-30/h1-7,9-20,24H,8,21-23H2
InChIKeyJJUQGWPRWZPRLC-UHFFFAOYSA-N
XLogP7.92
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 57.92
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-[(4-methoxyphenyl)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879090
1-[3-(4-chloro-3-methylphenoxy)propyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987436
2-benzyl-1-[3-(3,4-dimethylphenoxy)propyl]benzimidazole
CID 16995599
1-[2-(4-tert-butylphenoxy)ethyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987415
2-benzyl-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
CID 16995600
1-(4-naphthalen-2-yloxybutyl)-2-(phenoxymethyl)benzimidazole
CID 18879280
2-benzyl-1-[4-(4-methylphenoxy)butyl]benzimidazole
CID 18879081
2-[(4-phenylphenyl)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 16987427
2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879176
2-[(4-chlorophenyl)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 18878460
2-[(3,4-dimethoxyphenyl)methyl]-1-(3-phenoxypropyl)benzimidazole
CID 18878538
2-[(4-tert-butylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879409

Frequently Asked Questions

What is the IUPAC name of 1-(3-naphthalen-2-yloxypropyl)-2-[(4-phenylphenyl)methyl]benzimidazole?
The IUPAC name of 1-(3-naphthalen-2-yloxypropyl)-2-[(4-phenylphenyl)methyl]benzimidazole (CID 16987446) is 1-(3-naphthalen-2-yloxypropyl)-2-[(4-phenylphenyl)methyl]benzimidazole.
What is the SMILES notation for 1-(3-naphthalen-2-yloxypropyl)-2-[(4-phenylphenyl)methyl]benzimidazole?
The canonical SMILES for 1-(3-naphthalen-2-yloxypropyl)-2-[(4-phenylphenyl)methyl]benzimidazole is c1ccc(-c2ccc(Cc3nc4ccccc4n3CCCOc3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 1-(3-naphthalen-2-yloxypropyl)-2-[(4-phenylphenyl)methyl]benzimidazole?
The InChIKey is JJUQGWPRWZPRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N2O/c1-2-9-26(10-3-1)28-17-15-25(16-18-28)23-33-34-31-13-6-7-14-32(31)35(33)21-8-22-36-30-20-19-27-11-4-5-12-29(27)24-30/h1-7,9-20,24H,8,21-23H2.
What are the key properties of 1-(3-naphthalen-2-yloxypropyl)-2-[(4-phenylphenyl)methyl]benzimidazole?
1-(3-naphthalen-2-yloxypropyl)-2-[(4-phenylphenyl)methyl]benzimidazole has a molecular weight of 468.60 g/mol, XLogP of 7.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-naphthalen-2-yloxypropyl)-2-[(4-phenylphenyl)methyl]benzimidazole is sourced from PubChem (CID 16987446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).