2-[4-chloro-5-(2,4-dichlorophenyl)imidazol-1-yl]-5-methylsulfonylpyridine

C15H10Cl3N3O2S — CID 57336160

IUPAC2-[4-chloro-5-(2,4-dichlorophenyl)imidazol-1-yl]-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C15H10Cl3N3O2S/c1-24(22,23)10-3-5-13(19-7-10)21-8-20-15(18)14(21)11-4-2-9(16)6-12(11)17/h2-8H,1H3
InChIKeyFVPQAXBDXYWEBJ-UHFFFAOYSA-N
MW402.69 g/mol
LogP4.30
Rot. Bonds3

About 2-[4-chloro-5-(2,4-dichlorophenyl)imidazol-1-yl]-5-methylsulfonylpyridine

2-[4-chloro-5-(2,4-dichlorophenyl)imidazol-1-yl]-5-methylsulfonylpyridine (PubChem CID 57336160) has the molecular formula C15H10Cl3N3O2S and a molecular weight of 402.69 g/mol. Its IUPAC name is 2-[4-chloro-5-(2,4-dichlorophenyl)imidazol-1-yl]-5-methylsulfonylpyridine.

Molecular Properties

Compound Name2-[4-chloro-5-(2,4-dichlorophenyl)imidazol-1-yl]-5-methylsulfonylpyridine
PubChem CID57336160
Molecular FormulaC15H10Cl3N3O2S
Molecular Weight402.69 g/mol
Exact Mass400.96
IUPAC Name2-[4-chloro-5-(2,4-dichlorophenyl)imidazol-1-yl]-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C15H10Cl3N3O2S/c1-24(22,23)10-3-5-13(19-7-10)21-8-20-15(18)14(21)11-4-2-9(16)6-12(11)17/h2-8H,1H3
InChIKeyFVPQAXBDXYWEBJ-UHFFFAOYSA-N
XLogP4.30
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.69
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-(2,4-dichlorophenyl)imidazol-1-yl]-5-methylsulfonylpyridine?
The IUPAC name of 2-[4-chloro-5-(2,4-dichlorophenyl)imidazol-1-yl]-5-methylsulfonylpyridine (CID 57336160) is 2-[4-chloro-5-(2,4-dichlorophenyl)imidazol-1-yl]-5-methylsulfonylpyridine.
What is the SMILES notation for 2-[4-chloro-5-(2,4-dichlorophenyl)imidazol-1-yl]-5-methylsulfonylpyridine?
The canonical SMILES for 2-[4-chloro-5-(2,4-dichlorophenyl)imidazol-1-yl]-5-methylsulfonylpyridine is CS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2ccc(Cl)cc2Cl)nc1.
What is the InChIKey of 2-[4-chloro-5-(2,4-dichlorophenyl)imidazol-1-yl]-5-methylsulfonylpyridine?
The InChIKey is FVPQAXBDXYWEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3N3O2S/c1-24(22,23)10-3-5-13(19-7-10)21-8-20-15(18)14(21)11-4-2-9(16)6-12(11)17/h2-8H,1H3.
What are the key properties of 2-[4-chloro-5-(2,4-dichlorophenyl)imidazol-1-yl]-5-methylsulfonylpyridine?
2-[4-chloro-5-(2,4-dichlorophenyl)imidazol-1-yl]-5-methylsulfonylpyridine has a molecular weight of 402.69 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-(2,4-dichlorophenyl)imidazol-1-yl]-5-methylsulfonylpyridine is sourced from PubChem (CID 57336160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).