2-methyl-5-[(3-methylsulfonylazetidin-1-yl)methyl]-1-phenylimidazole

C15H19N3O2S — CID 126816677

IUPAC2-methyl-5-[(3-methylsulfonylazetidin-1-yl)methyl]-1-phenylimidazole
SMILESCc1ncc(CN2CC(S(C)(=O)=O)C2)n1-c1ccccc1
InChIInChI=1S/C15H19N3O2S/c1-12-16-8-14(18(12)13-6-4-3-5-7-13)9-17-10-15(11-17)21(2,19)20/h3-8,15H,9-11H2,1-2H3
InChIKeyUOABDVOPLXZWBP-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.41
Rot. Bonds4

About 2-methyl-5-[(3-methylsulfonylazetidin-1-yl)methyl]-1-phenylimidazole

2-methyl-5-[(3-methylsulfonylazetidin-1-yl)methyl]-1-phenylimidazole (PubChem CID 126816677) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-methyl-5-[(3-methylsulfonylazetidin-1-yl)methyl]-1-phenylimidazole.

Molecular Properties

Compound Name2-methyl-5-[(3-methylsulfonylazetidin-1-yl)methyl]-1-phenylimidazole
PubChem CID126816677
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-methyl-5-[(3-methylsulfonylazetidin-1-yl)methyl]-1-phenylimidazole
SMILESCc1ncc(CN2CC(S(C)(=O)=O)C2)n1-c1ccccc1
InChIInChI=1S/C15H19N3O2S/c1-12-16-8-14(18(12)13-6-4-3-5-7-13)9-17-10-15(11-17)21(2,19)20/h3-8,15H,9-11H2,1-2H3
InChIKeyUOABDVOPLXZWBP-UHFFFAOYSA-N
XLogP1.41
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-methylsulfonylazetidin-1-yl)methyl]-1-phenylimidazole?
The IUPAC name of 2-methyl-5-[(3-methylsulfonylazetidin-1-yl)methyl]-1-phenylimidazole (CID 126816677) is 2-methyl-5-[(3-methylsulfonylazetidin-1-yl)methyl]-1-phenylimidazole.
What is the SMILES notation for 2-methyl-5-[(3-methylsulfonylazetidin-1-yl)methyl]-1-phenylimidazole?
The canonical SMILES for 2-methyl-5-[(3-methylsulfonylazetidin-1-yl)methyl]-1-phenylimidazole is Cc1ncc(CN2CC(S(C)(=O)=O)C2)n1-c1ccccc1.
What is the InChIKey of 2-methyl-5-[(3-methylsulfonylazetidin-1-yl)methyl]-1-phenylimidazole?
The InChIKey is UOABDVOPLXZWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-12-16-8-14(18(12)13-6-4-3-5-7-13)9-17-10-15(11-17)21(2,19)20/h3-8,15H,9-11H2,1-2H3.
What are the key properties of 2-methyl-5-[(3-methylsulfonylazetidin-1-yl)methyl]-1-phenylimidazole?
2-methyl-5-[(3-methylsulfonylazetidin-1-yl)methyl]-1-phenylimidazole has a molecular weight of 305.40 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3-methylsulfonylazetidin-1-yl)methyl]-1-phenylimidazole is sourced from PubChem (CID 126816677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).