1-[4-(2-methoxyethylsulfanylmethyl)phenyl]imidazole

C13H16N2OS — CID 75376269

IUPAC1-[4-(2-methoxyethylsulfanylmethyl)phenyl]imidazole
SMILESCOCCSCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C13H16N2OS/c1-16-8-9-17-10-12-2-4-13(5-3-12)15-7-6-14-11-15/h2-7,11H,8-10H2,1H3
InChIKeyIKMTTXBIZXFDOC-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.75
Rot. Bonds6

About 1-[4-(2-methoxyethylsulfanylmethyl)phenyl]imidazole

1-[4-(2-methoxyethylsulfanylmethyl)phenyl]imidazole (PubChem CID 75376269) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-[4-(2-methoxyethylsulfanylmethyl)phenyl]imidazole.

Molecular Properties

Compound Name1-[4-(2-methoxyethylsulfanylmethyl)phenyl]imidazole
PubChem CID75376269
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-[4-(2-methoxyethylsulfanylmethyl)phenyl]imidazole
SMILESCOCCSCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C13H16N2OS/c1-16-8-9-17-10-12-2-4-13(5-3-12)15-7-6-14-11-15/h2-7,11H,8-10H2,1H3
InChIKeyIKMTTXBIZXFDOC-UHFFFAOYSA-N
XLogP2.75
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.75
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

3-[(4-imidazol-1-ylphenyl)methylsulfanyl]propan-1-amine
CID 66218052
1-[(4-imidazol-1-ylphenyl)methylsulfanyl]-2-methylpropan-2-amine
CID 66230899
N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine
CID 43220295
1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43200664
4-imidazol-1-yl-N-(4-methoxybutan-2-yl)aniline
CID 75516703
(4-imidazol-1-ylphenyl)methyl-methylazanium
CID 7157370
1-(4-butylphenyl)imidazole
CID 174821695
1-(4-prop-2-enylphenyl)imidazole
CID 55274314
N-[(4-imidazol-1-ylphenyl)methyl]-5-methoxypentanamide
CID 86872246
N-[(4-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 92678471
1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
CID 132544165
N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxypropan-1-amine
CID 43205176

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethylsulfanylmethyl)phenyl]imidazole?
The IUPAC name of 1-[4-(2-methoxyethylsulfanylmethyl)phenyl]imidazole (CID 75376269) is 1-[4-(2-methoxyethylsulfanylmethyl)phenyl]imidazole.
What is the SMILES notation for 1-[4-(2-methoxyethylsulfanylmethyl)phenyl]imidazole?
The canonical SMILES for 1-[4-(2-methoxyethylsulfanylmethyl)phenyl]imidazole is COCCSCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-[4-(2-methoxyethylsulfanylmethyl)phenyl]imidazole?
The InChIKey is IKMTTXBIZXFDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-16-8-9-17-10-12-2-4-13(5-3-12)15-7-6-14-11-15/h2-7,11H,8-10H2,1H3.
What are the key properties of 1-[4-(2-methoxyethylsulfanylmethyl)phenyl]imidazole?
1-[4-(2-methoxyethylsulfanylmethyl)phenyl]imidazole has a molecular weight of 248.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethylsulfanylmethyl)phenyl]imidazole is sourced from PubChem (CID 75376269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).