2-(4-ethylsulfanylphenyl)-4,5-dihydro-1H-imidazole

C11H14N2S — CID 126982323

IUPAC2-(4-ethylsulfanylphenyl)-4,5-dihydro-1H-imidazole
SMILESCCSc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C11H14N2S/c1-2-14-10-5-3-9(4-6-10)11-12-7-8-13-11/h3-6H,2,7-8H2,1H3,(H,12,13)
InChIKeyIMLLTWZBSPJPNY-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.15
Rot. Bonds3

About 2-(4-ethylsulfanylphenyl)-4,5-dihydro-1H-imidazole

2-(4-ethylsulfanylphenyl)-4,5-dihydro-1H-imidazole (PubChem CID 126982323) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(4-ethylsulfanylphenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(4-ethylsulfanylphenyl)-4,5-dihydro-1H-imidazole
PubChem CID126982323
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name2-(4-ethylsulfanylphenyl)-4,5-dihydro-1H-imidazole
SMILESCCSc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C11H14N2S/c1-2-14-10-5-3-9(4-6-10)11-12-7-8-13-11/h3-6H,2,7-8H2,1H3,(H,12,13)
InChIKeyIMLLTWZBSPJPNY-UHFFFAOYSA-N
XLogP2.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]butanamide
CID 82242863
5-(4-ethylsulfanylphenyl)-1H-pyrazole
CID 116869059
2-[4-(2-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82242139
2-[4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-methylphenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
CID 162469328
2-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1H-imidazole;hydroiodide
CID 158320426
2-naphthalen-2-yl-4,5-dihydro-1H-imidazole
CID 11769428
2-[2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]methyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole
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2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-1H-imidazole
CID 82242731
2-(4-naphthalen-1-ylphenyl)-4,5-dihydro-1H-imidazole
CID 10221130
5-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]pyridine
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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanylphenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(4-ethylsulfanylphenyl)-4,5-dihydro-1H-imidazole (CID 126982323) is 2-(4-ethylsulfanylphenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(4-ethylsulfanylphenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(4-ethylsulfanylphenyl)-4,5-dihydro-1H-imidazole is CCSc1ccc(C2=NCCN2)cc1.
What is the InChIKey of 2-(4-ethylsulfanylphenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is IMLLTWZBSPJPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-2-14-10-5-3-9(4-6-10)11-12-7-8-13-11/h3-6H,2,7-8H2,1H3,(H,12,13).
What are the key properties of 2-(4-ethylsulfanylphenyl)-4,5-dihydro-1H-imidazole?
2-(4-ethylsulfanylphenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 206.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanylphenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 126982323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).