5-[3-[(2-methylsulfanylphenyl)methoxy]propyl]-1H-imidazole

C14H18N2OS — CID 70248146

IUPAC5-[3-[(2-methylsulfanylphenyl)methoxy]propyl]-1H-imidazole
SMILESCSc1ccccc1COCCCc1cnc[nH]1
InChIInChI=1S/C14H18N2OS/c1-18-14-7-3-2-5-12(14)10-17-8-4-6-13-9-15-11-16-13/h2-3,5,7,9,11H,4,6,8,10H2,1H3,(H,15,16)
InChIKeyINCDBPJXXVWMDU-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.28
Rot. Bonds7

About 5-[3-[(2-methylsulfanylphenyl)methoxy]propyl]-1H-imidazole

5-[3-[(2-methylsulfanylphenyl)methoxy]propyl]-1H-imidazole (PubChem CID 70248146) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 5-[3-[(2-methylsulfanylphenyl)methoxy]propyl]-1H-imidazole.

Molecular Properties

Compound Name5-[3-[(2-methylsulfanylphenyl)methoxy]propyl]-1H-imidazole
PubChem CID70248146
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name5-[3-[(2-methylsulfanylphenyl)methoxy]propyl]-1H-imidazole
SMILESCSc1ccccc1COCCCc1cnc[nH]1
InChIInChI=1S/C14H18N2OS/c1-18-14-7-3-2-5-12(14)10-17-8-4-6-13-9-15-11-16-13/h2-3,5,7,9,11H,4,6,8,10H2,1H3,(H,15,16)
InChIKeyINCDBPJXXVWMDU-UHFFFAOYSA-N
XLogP3.28
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(ethoxymethyl)-2-methylsulfanylbenzene
CID 91470135
5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole
CID 69024759
5-[3-(2-phenoxyphenoxy)propyl]-1H-imidazole
CID 67692655
5-(3-phenylpropyl)-1H-imidazole
CID 10035345
5-[3-[(1-methylsulfanylcyclohexa-2,4-dien-1-yl)methoxy]propyl]-1H-imidazole
CID 70248148
5-[3-[3-[4-(trifluoromethyl)phenyl]propoxy]propyl]-1H-imidazole
CID 10828898
4-(2-fluorophenyl)-4-[3-(1H-imidazol-5-yl)propoxy]butan-2-one
CID 70248241
5-[3-(2-cyclohexylphenoxy)propyl]-1H-imidazole
CID 173323765
5-(4-bromobutoxymethyl)-1H-imidazole
CID 139649130
5-[3-(2,6-dimethylphenyl)propyl]-1H-imidazole
CID 10420802
5-[3-(2-nitrophenoxy)propyl]-1H-imidazole
CID 173130185
3-(1H-imidazol-5-yl)propyl N-(2-methylpropyl)carbamate
CID 10727902

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-methylsulfanylphenyl)methoxy]propyl]-1H-imidazole?
The IUPAC name of 5-[3-[(2-methylsulfanylphenyl)methoxy]propyl]-1H-imidazole (CID 70248146) is 5-[3-[(2-methylsulfanylphenyl)methoxy]propyl]-1H-imidazole.
What is the SMILES notation for 5-[3-[(2-methylsulfanylphenyl)methoxy]propyl]-1H-imidazole?
The canonical SMILES for 5-[3-[(2-methylsulfanylphenyl)methoxy]propyl]-1H-imidazole is CSc1ccccc1COCCCc1cnc[nH]1.
What is the InChIKey of 5-[3-[(2-methylsulfanylphenyl)methoxy]propyl]-1H-imidazole?
The InChIKey is INCDBPJXXVWMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-18-14-7-3-2-5-12(14)10-17-8-4-6-13-9-15-11-16-13/h2-3,5,7,9,11H,4,6,8,10H2,1H3,(H,15,16).
What are the key properties of 5-[3-[(2-methylsulfanylphenyl)methoxy]propyl]-1H-imidazole?
5-[3-[(2-methylsulfanylphenyl)methoxy]propyl]-1H-imidazole has a molecular weight of 262.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-methylsulfanylphenyl)methoxy]propyl]-1H-imidazole is sourced from PubChem (CID 70248146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).