2-(2-imidazol-1-ylethylsulfanyl)-1-(3-methoxyphenyl)imidazole

C15H16N4OS — CID 75388165

IUPAC2-(2-imidazol-1-ylethylsulfanyl)-1-(3-methoxyphenyl)imidazole
SMILESCOc1cccc(-n2ccnc2SCCn2ccnc2)c1
InChIInChI=1S/C15H16N4OS/c1-20-14-4-2-3-13(11-14)19-8-6-17-15(19)21-10-9-18-7-5-16-12-18/h2-8,11-12H,9-10H2,1H3
InChIKeyCTUCSWGODFLDGY-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.87
Rot. Bonds6

About 2-(2-imidazol-1-ylethylsulfanyl)-1-(3-methoxyphenyl)imidazole

2-(2-imidazol-1-ylethylsulfanyl)-1-(3-methoxyphenyl)imidazole (PubChem CID 75388165) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-(2-imidazol-1-ylethylsulfanyl)-1-(3-methoxyphenyl)imidazole.

Molecular Properties

Compound Name2-(2-imidazol-1-ylethylsulfanyl)-1-(3-methoxyphenyl)imidazole
PubChem CID75388165
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name2-(2-imidazol-1-ylethylsulfanyl)-1-(3-methoxyphenyl)imidazole
SMILESCOc1cccc(-n2ccnc2SCCn2ccnc2)c1
InChIInChI=1S/C15H16N4OS/c1-20-14-4-2-3-13(11-14)19-8-6-17-15(19)21-10-9-18-7-5-16-12-18/h2-8,11-12H,9-10H2,1H3
InChIKeyCTUCSWGODFLDGY-UHFFFAOYSA-N
XLogP2.87
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-imidazol-1-yl-1-(3-methoxyphenyl)imidazole
CID 69342185
N-carbamoyl-3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 18277389
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 18161587
1-[6-(3-methoxyphenoxy)hexyl]imidazole
CID 3758429
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 30802274
N-(3-chloro-4-methylphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 5153434
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylmethoxyacetamide
CID 18164735
N-(dicyclopropylmethyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 32674724
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 51306584
5-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide
CID 39908176
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-1-(4-methoxyphenyl)ethanone
CID 33299887
N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 4092411

Frequently Asked Questions

What is the IUPAC name of 2-(2-imidazol-1-ylethylsulfanyl)-1-(3-methoxyphenyl)imidazole?
The IUPAC name of 2-(2-imidazol-1-ylethylsulfanyl)-1-(3-methoxyphenyl)imidazole (CID 75388165) is 2-(2-imidazol-1-ylethylsulfanyl)-1-(3-methoxyphenyl)imidazole.
What is the SMILES notation for 2-(2-imidazol-1-ylethylsulfanyl)-1-(3-methoxyphenyl)imidazole?
The canonical SMILES for 2-(2-imidazol-1-ylethylsulfanyl)-1-(3-methoxyphenyl)imidazole is COc1cccc(-n2ccnc2SCCn2ccnc2)c1.
What is the InChIKey of 2-(2-imidazol-1-ylethylsulfanyl)-1-(3-methoxyphenyl)imidazole?
The InChIKey is CTUCSWGODFLDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-20-14-4-2-3-13(11-14)19-8-6-17-15(19)21-10-9-18-7-5-16-12-18/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 2-(2-imidazol-1-ylethylsulfanyl)-1-(3-methoxyphenyl)imidazole?
2-(2-imidazol-1-ylethylsulfanyl)-1-(3-methoxyphenyl)imidazole has a molecular weight of 300.39 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imidazol-1-ylethylsulfanyl)-1-(3-methoxyphenyl)imidazole is sourced from PubChem (CID 75388165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).