1-(3-naphthalen-2-yloxypropyl)-2-[phenyl(phenylsulfanyl)methyl]benzimidazole

C33H28N2OS — CID 18878377

IUPAC1-(3-naphthalen-2-yloxypropyl)-2-[phenyl(phenylsulfanyl)methyl]benzimidazole
SMILESc1ccc(SC(c2ccccc2)c2nc3ccccc3n2CCCOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C33H28N2OS/c1-3-13-26(14-4-1)32(37-29-16-5-2-6-17-29)33-34-30-18-9-10-19-31(30)35(33)22-11-23-36-28-21-20-25-12-7-8-15-27(25)24-28/h1-10,12-21,24,32H,11,22-23H2
InChIKeyBGBZVJAXGBIJRJ-UHFFFAOYSA-N
MW500.67 g/mol
LogP8.54
Rot. Bonds9

About 1-(3-naphthalen-2-yloxypropyl)-2-[phenyl(phenylsulfanyl)methyl]benzimidazole

1-(3-naphthalen-2-yloxypropyl)-2-[phenyl(phenylsulfanyl)methyl]benzimidazole (PubChem CID 18878377) has the molecular formula C33H28N2OS and a molecular weight of 500.67 g/mol. Its IUPAC name is 1-(3-naphthalen-2-yloxypropyl)-2-[phenyl(phenylsulfanyl)methyl]benzimidazole.

Molecular Properties

Compound Name1-(3-naphthalen-2-yloxypropyl)-2-[phenyl(phenylsulfanyl)methyl]benzimidazole
PubChem CID18878377
Molecular FormulaC33H28N2OS
Molecular Weight500.67 g/mol
Exact Mass500.19
IUPAC Name1-(3-naphthalen-2-yloxypropyl)-2-[phenyl(phenylsulfanyl)methyl]benzimidazole
SMILESc1ccc(SC(c2ccccc2)c2nc3ccccc3n2CCCOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C33H28N2OS/c1-3-13-26(14-4-1)32(37-29-16-5-2-6-17-29)33-34-30-18-9-10-19-31(30)35(33)22-11-23-36-28-21-20-25-12-7-8-15-27(25)24-28/h1-10,12-21,24,32H,11,22-23H2
InChIKeyBGBZVJAXGBIJRJ-UHFFFAOYSA-N
XLogP8.54
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.67
LogP ≤ 58.54
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

1-[4-(3-methylphenoxy)butyl]-2-[phenyl(phenylsulfanyl)methyl]benzimidazole
CID 18878382
1-butyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole
CID 18878314
1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethanol
CID 18879025
2-benzhydryl-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 16987277
1-(3-naphthalen-2-yloxypropyl)-2-[(E)-2-phenylethenyl]benzimidazole
CID 18879224
N-[1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971807
2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879176
1-(3-naphthalen-2-yloxypropyl)-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987446
2-benzhydryl-1-[3-(4-tert-butylphenoxy)propyl]benzimidazole
CID 16987281
1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole
CID 16996549
1-(4-naphthalen-2-yloxybutyl)-2-(phenoxymethyl)benzimidazole
CID 18879280
[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]-phenylmethanol
CID 16995172

Frequently Asked Questions

What is the IUPAC name of 1-(3-naphthalen-2-yloxypropyl)-2-[phenyl(phenylsulfanyl)methyl]benzimidazole?
The IUPAC name of 1-(3-naphthalen-2-yloxypropyl)-2-[phenyl(phenylsulfanyl)methyl]benzimidazole (CID 18878377) is 1-(3-naphthalen-2-yloxypropyl)-2-[phenyl(phenylsulfanyl)methyl]benzimidazole.
What is the SMILES notation for 1-(3-naphthalen-2-yloxypropyl)-2-[phenyl(phenylsulfanyl)methyl]benzimidazole?
The canonical SMILES for 1-(3-naphthalen-2-yloxypropyl)-2-[phenyl(phenylsulfanyl)methyl]benzimidazole is c1ccc(SC(c2ccccc2)c2nc3ccccc3n2CCCOc2ccc3ccccc3c2)cc1.
What is the InChIKey of 1-(3-naphthalen-2-yloxypropyl)-2-[phenyl(phenylsulfanyl)methyl]benzimidazole?
The InChIKey is BGBZVJAXGBIJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N2OS/c1-3-13-26(14-4-1)32(37-29-16-5-2-6-17-29)33-34-30-18-9-10-19-31(30)35(33)22-11-23-36-28-21-20-25-12-7-8-15-27(25)24-28/h1-10,12-21,24,32H,11,22-23H2.
What are the key properties of 1-(3-naphthalen-2-yloxypropyl)-2-[phenyl(phenylsulfanyl)methyl]benzimidazole?
1-(3-naphthalen-2-yloxypropyl)-2-[phenyl(phenylsulfanyl)methyl]benzimidazole has a molecular weight of 500.67 g/mol, XLogP of 8.54, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-naphthalen-2-yloxypropyl)-2-[phenyl(phenylsulfanyl)methyl]benzimidazole is sourced from PubChem (CID 18878377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).