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

C17H13Cl3N2O3S — CID 10113620

IUPAC4-chloro-5-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole
SMILESCOc1c(Cl)cc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C17H13Cl3N2O3S/c1-25-16-13(18)7-10(8-14(16)19)15-17(20)21-9-22(15)11-3-5-12(6-4-11)26(2,23)24/h3-9H,1-2H3
InChIKeyIYTBFRVLHPFFOH-UHFFFAOYSA-N
MW431.73 g/mol
LogP4.91
Rot. Bonds4

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

4-chloro-5-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole (PubChem CID 10113620) has the molecular formula C17H13Cl3N2O3S and a molecular weight of 431.73 g/mol. Its IUPAC name is 4-chloro-5-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole.

Molecular Properties

Compound Name4-chloro-5-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole
PubChem CID10113620
Molecular FormulaC17H13Cl3N2O3S
Molecular Weight431.73 g/mol
Exact Mass429.97
IUPAC Name4-chloro-5-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole
SMILESCOc1c(Cl)cc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C17H13Cl3N2O3S/c1-25-16-13(18)7-10(8-14(16)19)15-17(20)21-9-22(15)11-3-5-12(6-4-11)26(2,23)24/h3-9H,1-2H3
InChIKeyIYTBFRVLHPFFOH-UHFFFAOYSA-N
XLogP4.91
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.73
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole?
The IUPAC name of 4-chloro-5-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole (CID 10113620) is 4-chloro-5-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole.
What is the SMILES notation for 4-chloro-5-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole?
The canonical SMILES for 4-chloro-5-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole is COc1c(Cl)cc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1Cl.
What is the InChIKey of 4-chloro-5-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole?
The InChIKey is IYTBFRVLHPFFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3N2O3S/c1-25-16-13(18)7-10(8-14(16)19)15-17(20)21-9-22(15)11-3-5-12(6-4-11)26(2,23)24/h3-9H,1-2H3.
What are the key properties of 4-chloro-5-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole?
4-chloro-5-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole has a molecular weight of 431.73 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole is sourced from PubChem (CID 10113620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).