1-[6-(4-methylthiophen-2-yl)oxyhexyl]imidazole

C14H20N2OS — CID 67807379

IUPAC1-[6-(4-methylthiophen-2-yl)oxyhexyl]imidazole
SMILESCc1csc(OCCCCCCn2ccnc2)c1
InChIInChI=1S/C14H20N2OS/c1-13-10-14(18-11-13)17-9-5-3-2-4-7-16-8-6-15-12-16/h6,8,10-12H,2-5,7,9H2,1H3
InChIKeyJKOOFLWEZSQKQW-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.89
Rot. Bonds8

About 1-[6-(4-methylthiophen-2-yl)oxyhexyl]imidazole

1-[6-(4-methylthiophen-2-yl)oxyhexyl]imidazole (PubChem CID 67807379) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[6-(4-methylthiophen-2-yl)oxyhexyl]imidazole.

Molecular Properties

Compound Name1-[6-(4-methylthiophen-2-yl)oxyhexyl]imidazole
PubChem CID67807379
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name1-[6-(4-methylthiophen-2-yl)oxyhexyl]imidazole
SMILESCc1csc(OCCCCCCn2ccnc2)c1
InChIInChI=1S/C14H20N2OS/c1-13-10-14(18-11-13)17-9-5-3-2-4-7-16-8-6-15-12-16/h6,8,10-12H,2-5,7,9H2,1H3
InChIKeyJKOOFLWEZSQKQW-UHFFFAOYSA-N
XLogP3.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.89
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-[5-(2,4,6-trimethylphenoxy)pentyl]imidazole
CID 2850907
1-[4-(2,4,6-trimethylphenoxy)butyl]imidazole;hydrochloride
CID 2851015
1-[4-(2,3,5-trimethylphenoxy)butyl]imidazole
CID 2843850
1-[4-(3-methylphenoxy)butyl]imidazole
CID 2841395
1-(13-ethoxytridecyl)imidazole
CID 145255635
1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride
CID 18921924
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
1-[6-(3-methoxyphenoxy)hexyl]imidazole
CID 3758429
1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole
CID 18921807
1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole
CID 19378833
1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole
CID 2923427
1-[5-(4-fluorophenoxy)pentyl]imidazole
CID 2851826

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methylthiophen-2-yl)oxyhexyl]imidazole?
The IUPAC name of 1-[6-(4-methylthiophen-2-yl)oxyhexyl]imidazole (CID 67807379) is 1-[6-(4-methylthiophen-2-yl)oxyhexyl]imidazole.
What is the SMILES notation for 1-[6-(4-methylthiophen-2-yl)oxyhexyl]imidazole?
The canonical SMILES for 1-[6-(4-methylthiophen-2-yl)oxyhexyl]imidazole is Cc1csc(OCCCCCCn2ccnc2)c1.
What is the InChIKey of 1-[6-(4-methylthiophen-2-yl)oxyhexyl]imidazole?
The InChIKey is JKOOFLWEZSQKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-13-10-14(18-11-13)17-9-5-3-2-4-7-16-8-6-15-12-16/h6,8,10-12H,2-5,7,9H2,1H3.
What are the key properties of 1-[6-(4-methylthiophen-2-yl)oxyhexyl]imidazole?
1-[6-(4-methylthiophen-2-yl)oxyhexyl]imidazole has a molecular weight of 264.39 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methylthiophen-2-yl)oxyhexyl]imidazole is sourced from PubChem (CID 67807379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).