4-chloro-5-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole

C17H14Cl2N2O3S — CID 10157624

IUPAC4-chloro-5-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole
SMILESCOc1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C17H14Cl2N2O3S/c1-24-15-8-3-11(9-14(15)18)16-17(19)20-10-21(16)12-4-6-13(7-5-12)25(2,22)23/h3-10H,1-2H3
InChIKeyVKBIYXIQBVJEPV-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.26
Rot. Bonds4

About 4-chloro-5-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole

4-chloro-5-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole (PubChem CID 10157624) has the molecular formula C17H14Cl2N2O3S and a molecular weight of 397.28 g/mol. Its IUPAC name is 4-chloro-5-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole.

Molecular Properties

Compound Name4-chloro-5-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole
PubChem CID10157624
Molecular FormulaC17H14Cl2N2O3S
Molecular Weight397.28 g/mol
Exact Mass396.01
IUPAC Name4-chloro-5-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole
SMILESCOc1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C17H14Cl2N2O3S/c1-24-15-8-3-11(9-14(15)18)16-17(19)20-10-21(16)12-4-6-13(7-5-12)25(2,22)23/h3-10H,1-2H3
InChIKeyVKBIYXIQBVJEPV-UHFFFAOYSA-N
XLogP4.26
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole?
The IUPAC name of 4-chloro-5-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole (CID 10157624) is 4-chloro-5-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole.
What is the SMILES notation for 4-chloro-5-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole?
The canonical SMILES for 4-chloro-5-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole is COc1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1Cl.
What is the InChIKey of 4-chloro-5-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole?
The InChIKey is VKBIYXIQBVJEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3S/c1-24-15-8-3-11(9-14(15)18)16-17(19)20-10-21(16)12-4-6-13(7-5-12)25(2,22)23/h3-10H,1-2H3.
What are the key properties of 4-chloro-5-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole?
4-chloro-5-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole has a molecular weight of 397.28 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3-chloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole is sourced from PubChem (CID 10157624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).