1-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-methylsulfanylimidazole

C13H14Cl2N2OS — CID 3766915

IUPAC1-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-methylsulfanylimidazole
SMILESCSc1nccn1-c1cc(OC(C)C)c(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2OS/c1-8(2)18-12-7-11(9(14)6-10(12)15)17-5-4-16-13(17)19-3/h4-8H,1-3H3
InChIKeyVJMANNGBHKPNRG-UHFFFAOYSA-N
MW317.24 g/mol
LogP4.69
Rot. Bonds4

About 1-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-methylsulfanylimidazole

1-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-methylsulfanylimidazole (PubChem CID 3766915) has the molecular formula C13H14Cl2N2OS and a molecular weight of 317.24 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-methylsulfanylimidazole.

Molecular Properties

Compound Name1-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-methylsulfanylimidazole
PubChem CID3766915
Molecular FormulaC13H14Cl2N2OS
Molecular Weight317.24 g/mol
Exact Mass316.02
IUPAC Name1-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-methylsulfanylimidazole
SMILESCSc1nccn1-c1cc(OC(C)C)c(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2OS/c1-8(2)18-12-7-11(9(14)6-10(12)15)17-5-4-16-13(17)19-3/h4-8H,1-3H3
InChIKeyVJMANNGBHKPNRG-UHFFFAOYSA-N
XLogP4.69
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-methylsulfanylimidazole?
The IUPAC name of 1-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-methylsulfanylimidazole (CID 3766915) is 1-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-methylsulfanylimidazole.
What is the SMILES notation for 1-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-methylsulfanylimidazole?
The canonical SMILES for 1-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-methylsulfanylimidazole is CSc1nccn1-c1cc(OC(C)C)c(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-methylsulfanylimidazole?
The InChIKey is VJMANNGBHKPNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2OS/c1-8(2)18-12-7-11(9(14)6-10(12)15)17-5-4-16-13(17)19-3/h4-8H,1-3H3.
What are the key properties of 1-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-methylsulfanylimidazole?
1-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-methylsulfanylimidazole has a molecular weight of 317.24 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-methylsulfanylimidazole is sourced from PubChem (CID 3766915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).