2-methyl-6-[4-[3-(4-methylsulfonylphenyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]pyridine

C25H25N3O2S — CID 11647672

IUPAC2-methyl-6-[4-[3-(4-methylsulfonylphenyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]pyridine
SMILESCc1cccc(-c2[nH]c(C(C)C)nc2-c2cccc(-c3ccc(S(C)(=O)=O)cc3)c2)n1
InChIInChI=1S/C25H25N3O2S/c1-16(2)25-27-23(24(28-25)22-10-5-7-17(3)26-22)20-9-6-8-19(15-20)18-11-13-21(14-12-18)31(4,29)30/h5-16H,1-4H3,(H,27,28)
InChIKeyGMBCJHXUWJCDDL-UHFFFAOYSA-N
MW431.56 g/mol
LogP5.64
Rot. Bonds5

About 2-methyl-6-[4-[3-(4-methylsulfonylphenyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]pyridine

2-methyl-6-[4-[3-(4-methylsulfonylphenyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]pyridine (PubChem CID 11647672) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is 2-methyl-6-[4-[3-(4-methylsulfonylphenyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[4-[3-(4-methylsulfonylphenyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]pyridine
PubChem CID11647672
Molecular FormulaC25H25N3O2S
Molecular Weight431.56 g/mol
Exact Mass431.17
IUPAC Name2-methyl-6-[4-[3-(4-methylsulfonylphenyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]pyridine
SMILESCc1cccc(-c2[nH]c(C(C)C)nc2-c2cccc(-c3ccc(S(C)(=O)=O)cc3)c2)n1
InChIInChI=1S/C25H25N3O2S/c1-16(2)25-27-23(24(28-25)22-10-5-7-17(3)26-22)20-9-6-8-19(15-20)18-11-13-21(14-12-18)31(4,29)30/h5-16H,1-4H3,(H,27,28)
InChIKeyGMBCJHXUWJCDDL-UHFFFAOYSA-N
XLogP5.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-[3-(4-methylsulfonylphenyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]pyridine?
The IUPAC name of 2-methyl-6-[4-[3-(4-methylsulfonylphenyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]pyridine (CID 11647672) is 2-methyl-6-[4-[3-(4-methylsulfonylphenyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 2-methyl-6-[4-[3-(4-methylsulfonylphenyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 2-methyl-6-[4-[3-(4-methylsulfonylphenyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]pyridine is Cc1cccc(-c2[nH]c(C(C)C)nc2-c2cccc(-c3ccc(S(C)(=O)=O)cc3)c2)n1.
What is the InChIKey of 2-methyl-6-[4-[3-(4-methylsulfonylphenyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]pyridine?
The InChIKey is GMBCJHXUWJCDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2S/c1-16(2)25-27-23(24(28-25)22-10-5-7-17(3)26-22)20-9-6-8-19(15-20)18-11-13-21(14-12-18)31(4,29)30/h5-16H,1-4H3,(H,27,28).
What are the key properties of 2-methyl-6-[4-[3-(4-methylsulfonylphenyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]pyridine?
2-methyl-6-[4-[3-(4-methylsulfonylphenyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]pyridine has a molecular weight of 431.56 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-[3-(4-methylsulfonylphenyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 11647672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).