4-methyl-N-(2-methylsulfinylethyl)-1-phenylimidazol-2-amine

C13H17N3OS — CID 106581417

IUPAC4-methyl-N-(2-methylsulfinylethyl)-1-phenylimidazol-2-amine
SMILESCc1cn(-c2ccccc2)c(NCCS(C)=O)n1
InChIInChI=1S/C13H17N3OS/c1-11-10-16(12-6-4-3-5-7-12)13(15-11)14-8-9-18(2)17/h3-7,10H,8-9H2,1-2H3,(H,14,15)
InChIKeyHWGPQJXOIBAMND-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.97
Rot. Bonds5

About 4-methyl-N-(2-methylsulfinylethyl)-1-phenylimidazol-2-amine

4-methyl-N-(2-methylsulfinylethyl)-1-phenylimidazol-2-amine (PubChem CID 106581417) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-methyl-N-(2-methylsulfinylethyl)-1-phenylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methylsulfinylethyl)-1-phenylimidazol-2-amine
PubChem CID106581417
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name4-methyl-N-(2-methylsulfinylethyl)-1-phenylimidazol-2-amine
SMILESCc1cn(-c2ccccc2)c(NCCS(C)=O)n1
InChIInChI=1S/C13H17N3OS/c1-11-10-16(12-6-4-3-5-7-12)13(15-11)14-8-9-18(2)17/h3-7,10H,8-9H2,1-2H3,(H,14,15)
InChIKeyHWGPQJXOIBAMND-UHFFFAOYSA-N
XLogP1.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylsulfinylethyl)-1-phenylimidazol-2-amine?
The IUPAC name of 4-methyl-N-(2-methylsulfinylethyl)-1-phenylimidazol-2-amine (CID 106581417) is 4-methyl-N-(2-methylsulfinylethyl)-1-phenylimidazol-2-amine.
What is the SMILES notation for 4-methyl-N-(2-methylsulfinylethyl)-1-phenylimidazol-2-amine?
The canonical SMILES for 4-methyl-N-(2-methylsulfinylethyl)-1-phenylimidazol-2-amine is Cc1cn(-c2ccccc2)c(NCCS(C)=O)n1.
What is the InChIKey of 4-methyl-N-(2-methylsulfinylethyl)-1-phenylimidazol-2-amine?
The InChIKey is HWGPQJXOIBAMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-11-10-16(12-6-4-3-5-7-12)13(15-11)14-8-9-18(2)17/h3-7,10H,8-9H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-N-(2-methylsulfinylethyl)-1-phenylimidazol-2-amine?
4-methyl-N-(2-methylsulfinylethyl)-1-phenylimidazol-2-amine has a molecular weight of 263.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylsulfinylethyl)-1-phenylimidazol-2-amine is sourced from PubChem (CID 106581417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).