2-methyl-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

C14H22N4OS — CID 71862164

IUPAC2-methyl-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCSC1=NCCN1C(=O)C(C)Cc1c(C)nn(C)c1C
InChIInChI=1S/C14H22N4OS/c1-9(8-12-10(2)16-17(4)11(12)3)13(19)18-7-6-15-14(18)20-5/h9H,6-8H2,1-5H3
InChIKeyCYNPKEZMCCTNTR-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.78
Rot. Bonds3

About 2-methyl-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

2-methyl-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (PubChem CID 71862164) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-methyl-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
PubChem CID71862164
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name2-methyl-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCSC1=NCCN1C(=O)C(C)Cc1c(C)nn(C)c1C
InChIInChI=1S/C14H22N4OS/c1-9(8-12-10(2)16-17(4)11(12)3)13(19)18-7-6-15-14(18)20-5/h9H,6-8H2,1-5H3
InChIKeyCYNPKEZMCCTNTR-UHFFFAOYSA-N
XLogP1.78
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (CID 71862164) is 2-methyl-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is CSC1=NCCN1C(=O)C(C)Cc1c(C)nn(C)c1C.
What is the InChIKey of 2-methyl-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The InChIKey is CYNPKEZMCCTNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-9(8-12-10(2)16-17(4)11(12)3)13(19)18-7-6-15-14(18)20-5/h9H,6-8H2,1-5H3.
What are the key properties of 2-methyl-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
2-methyl-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one has a molecular weight of 294.42 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 71862164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).