1-[2-(2,6-dichlorophenyl)sulfanylpropyl]imidazole

C12H12Cl2N2S — CID 71193176

IUPAC1-[2-(2,6-dichlorophenyl)sulfanylpropyl]imidazole
SMILESCC(Cn1ccnc1)Sc1c(Cl)cccc1Cl
InChIInChI=1S/C12H12Cl2N2S/c1-9(7-16-6-5-15-8-16)17-12-10(13)3-2-4-11(12)14/h2-6,8-9H,7H2,1H3
InChIKeyOWCDYHWFUABFGC-UHFFFAOYSA-N
MW287.22 g/mol
LogP4.37
Rot. Bonds4

About 1-[2-(2,6-dichlorophenyl)sulfanylpropyl]imidazole

1-[2-(2,6-dichlorophenyl)sulfanylpropyl]imidazole (PubChem CID 71193176) has the molecular formula C12H12Cl2N2S and a molecular weight of 287.22 g/mol. Its IUPAC name is 1-[2-(2,6-dichlorophenyl)sulfanylpropyl]imidazole.

Molecular Properties

Compound Name1-[2-(2,6-dichlorophenyl)sulfanylpropyl]imidazole
PubChem CID71193176
Molecular FormulaC12H12Cl2N2S
Molecular Weight287.22 g/mol
Exact Mass286.01
IUPAC Name1-[2-(2,6-dichlorophenyl)sulfanylpropyl]imidazole
SMILESCC(Cn1ccnc1)Sc1c(Cl)cccc1Cl
InChIInChI=1S/C12H12Cl2N2S/c1-9(7-16-6-5-15-8-16)17-12-10(13)3-2-4-11(12)14/h2-6,8-9H,7H2,1H3
InChIKeyOWCDYHWFUABFGC-UHFFFAOYSA-N
XLogP4.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbut-3-enyl]imidazole
CID 54092527
1-(2,6-dichlorophenyl)-2-imidazol-1-ylethanol
CID 12760610
N-[(2-chloro-6-methoxyphenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 104815886
7-chloro-2-(chloromethyl)-1-(1-imidazol-1-ylpropan-2-yl)benzimidazole
CID 61482660
1-(2-chlorophenyl)-2-imidazol-1-ylethanol
CID 12760607
1-[4-(4-chlorophenyl)-2-(2,3,6-trichlorophenyl)sulfanylbutyl]imidazole
CID 162180732
1-(2-chloro-6-fluorophenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 75483187
1-[2,3-bis[(2,4-dichlorophenyl)sulfanyl]propyl]imidazole
CID 21423702
1-[3-(2-chlorophenyl)-2-phenylpropyl]imidazole
CID 71393269
1-[2,2-bis[(4-methylphenyl)sulfanyl]ethyl]imidazole
CID 13320315
1-[2-(3,4-dichlorophenyl)sulfanyl-3-propylsulfanylpropyl]imidazole
CID 54038538
1-[2-(4-chlorophenyl)sulfanylheptyl]imidazole
CID 21415296

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichlorophenyl)sulfanylpropyl]imidazole?
The IUPAC name of 1-[2-(2,6-dichlorophenyl)sulfanylpropyl]imidazole (CID 71193176) is 1-[2-(2,6-dichlorophenyl)sulfanylpropyl]imidazole.
What is the SMILES notation for 1-[2-(2,6-dichlorophenyl)sulfanylpropyl]imidazole?
The canonical SMILES for 1-[2-(2,6-dichlorophenyl)sulfanylpropyl]imidazole is CC(Cn1ccnc1)Sc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[2-(2,6-dichlorophenyl)sulfanylpropyl]imidazole?
The InChIKey is OWCDYHWFUABFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2S/c1-9(7-16-6-5-15-8-16)17-12-10(13)3-2-4-11(12)14/h2-6,8-9H,7H2,1H3.
What are the key properties of 1-[2-(2,6-dichlorophenyl)sulfanylpropyl]imidazole?
1-[2-(2,6-dichlorophenyl)sulfanylpropyl]imidazole has a molecular weight of 287.22 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dichlorophenyl)sulfanylpropyl]imidazole is sourced from PubChem (CID 71193176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).