1-[2-(3,4-dichlorophenyl)sulfanylphenyl]imidazole

C15H10Cl2N2S — CID 21481659

IUPAC1-[2-(3,4-dichlorophenyl)sulfanylphenyl]imidazole
SMILESClc1ccc(Sc2ccccc2-n2ccnc2)cc1Cl
InChIInChI=1S/C15H10Cl2N2S/c16-12-6-5-11(9-13(12)17)20-15-4-2-1-3-14(15)19-8-7-18-10-19/h1-10H
InChIKeyILOKQEPTFAETTB-UHFFFAOYSA-N
MW321.23 g/mol
LogP5.33
Rot. Bonds3

About 1-[2-(3,4-dichlorophenyl)sulfanylphenyl]imidazole

1-[2-(3,4-dichlorophenyl)sulfanylphenyl]imidazole (PubChem CID 21481659) has the molecular formula C15H10Cl2N2S and a molecular weight of 321.23 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenyl)sulfanylphenyl]imidazole.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenyl)sulfanylphenyl]imidazole
PubChem CID21481659
Molecular FormulaC15H10Cl2N2S
Molecular Weight321.23 g/mol
Exact Mass319.99
IUPAC Name1-[2-(3,4-dichlorophenyl)sulfanylphenyl]imidazole
SMILESClc1ccc(Sc2ccccc2-n2ccnc2)cc1Cl
InChIInChI=1S/C15H10Cl2N2S/c16-12-6-5-11(9-13(12)17)20-15-4-2-1-3-14(15)19-8-7-18-10-19/h1-10H
InChIKeyILOKQEPTFAETTB-UHFFFAOYSA-N
XLogP5.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.23
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenyl)sulfanylphenyl]imidazole?
The IUPAC name of 1-[2-(3,4-dichlorophenyl)sulfanylphenyl]imidazole (CID 21481659) is 1-[2-(3,4-dichlorophenyl)sulfanylphenyl]imidazole.
What is the SMILES notation for 1-[2-(3,4-dichlorophenyl)sulfanylphenyl]imidazole?
The canonical SMILES for 1-[2-(3,4-dichlorophenyl)sulfanylphenyl]imidazole is Clc1ccc(Sc2ccccc2-n2ccnc2)cc1Cl.
What is the InChIKey of 1-[2-(3,4-dichlorophenyl)sulfanylphenyl]imidazole?
The InChIKey is ILOKQEPTFAETTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2S/c16-12-6-5-11(9-13(12)17)20-15-4-2-1-3-14(15)19-8-7-18-10-19/h1-10H.
What are the key properties of 1-[2-(3,4-dichlorophenyl)sulfanylphenyl]imidazole?
1-[2-(3,4-dichlorophenyl)sulfanylphenyl]imidazole has a molecular weight of 321.23 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenyl)sulfanylphenyl]imidazole is sourced from PubChem (CID 21481659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).