2-(2-chloro-6-methylphenyl)-1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]imidazole

C23H18Cl2N2O2S — CID 141164353

IUPAC2-(2-chloro-6-methylphenyl)-1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]imidazole
SMILESCc1cccc(Cl)c1-c1nccn1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1Cl
InChIInChI=1S/C23H18Cl2N2O2S/c1-15-5-3-8-19(24)22(15)23-26-11-12-27(23)21-10-9-17(14-20(21)25)16-6-4-7-18(13-16)30(2,28)29/h3-14H,1-2H3
InChIKeyLEUHNTPMHUWJME-UHFFFAOYSA-N
MW457.38 g/mol
LogP6.23
Rot. Bonds4

About 2-(2-chloro-6-methylphenyl)-1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]imidazole

2-(2-chloro-6-methylphenyl)-1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]imidazole (PubChem CID 141164353) has the molecular formula C23H18Cl2N2O2S and a molecular weight of 457.38 g/mol. Its IUPAC name is 2-(2-chloro-6-methylphenyl)-1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]imidazole.

Molecular Properties

Compound Name2-(2-chloro-6-methylphenyl)-1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]imidazole
PubChem CID141164353
Molecular FormulaC23H18Cl2N2O2S
Molecular Weight457.38 g/mol
Exact Mass456.05
IUPAC Name2-(2-chloro-6-methylphenyl)-1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]imidazole
SMILESCc1cccc(Cl)c1-c1nccn1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1Cl
InChIInChI=1S/C23H18Cl2N2O2S/c1-15-5-3-8-19(24)22(15)23-26-11-12-27(23)21-10-9-17(14-20(21)25)16-6-4-7-18(13-16)30(2,28)29/h3-14H,1-2H3
InChIKeyLEUHNTPMHUWJME-UHFFFAOYSA-N
XLogP6.23
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.38
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazole
CID 141164393
3-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-1,3-oxazolidine
CID 90113652
1-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4-hydroxybutan-1-one
CID 158334789
2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazole
CID 141164408
2-[2-(2-chloro-6-fluorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251471
2-[2-(2,6-dichlorophenyl)-1-[2-fluoro-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 15948381
[4-[3-chloro-4-(2-naphthalen-1-ylimidazol-1-yl)phenyl]-2-methylsulfonylphenyl]methanol
CID 141164474
2-(2-chloro-6-methylphenyl)-1-methylimidazole
CID 90892934
2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]propan-2-ol
CID 59251562
2-(2,6-dichlorophenyl)-1-methylsulfonylimidazole
CID 110539041
2-(2,3-dichlorophenyl)-4-iodo-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole
CID 59240328
2-[4-chloro-5-(2-chlorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol
CID 59631733

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methylphenyl)-1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]imidazole?
The IUPAC name of 2-(2-chloro-6-methylphenyl)-1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]imidazole (CID 141164353) is 2-(2-chloro-6-methylphenyl)-1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]imidazole.
What is the SMILES notation for 2-(2-chloro-6-methylphenyl)-1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]imidazole?
The canonical SMILES for 2-(2-chloro-6-methylphenyl)-1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]imidazole is Cc1cccc(Cl)c1-c1nccn1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1Cl.
What is the InChIKey of 2-(2-chloro-6-methylphenyl)-1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]imidazole?
The InChIKey is LEUHNTPMHUWJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O2S/c1-15-5-3-8-19(24)22(15)23-26-11-12-27(23)21-10-9-17(14-20(21)25)16-6-4-7-18(13-16)30(2,28)29/h3-14H,1-2H3.
What are the key properties of 2-(2-chloro-6-methylphenyl)-1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]imidazole?
2-(2-chloro-6-methylphenyl)-1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]imidazole has a molecular weight of 457.38 g/mol, XLogP of 6.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methylphenyl)-1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]imidazole is sourced from PubChem (CID 141164353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).