1-benzyl-2-methylsulfanyl-4,5-dihydroimidazole

C11H14N2S — CID 2806719

IUPAC1-benzyl-2-methylsulfanyl-4,5-dihydroimidazole
SMILESCSC1=NCCN1Cc1ccccc1
InChIInChI=1S/C11H14N2S/c1-14-11-12-7-8-13(11)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyBHTFXVVHBHJIPJ-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.22
Rot. Bonds2

About 1-benzyl-2-methylsulfanyl-4,5-dihydroimidazole

1-benzyl-2-methylsulfanyl-4,5-dihydroimidazole (PubChem CID 2806719) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-benzyl-2-methylsulfanyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-benzyl-2-methylsulfanyl-4,5-dihydroimidazole
PubChem CID2806719
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name1-benzyl-2-methylsulfanyl-4,5-dihydroimidazole
SMILESCSC1=NCCN1Cc1ccccc1
InChIInChI=1S/C11H14N2S/c1-14-11-12-7-8-13(11)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyBHTFXVVHBHJIPJ-UHFFFAOYSA-N
XLogP2.22
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methylsulfanyl-4,5-dihydroimidazole?
The IUPAC name of 1-benzyl-2-methylsulfanyl-4,5-dihydroimidazole (CID 2806719) is 1-benzyl-2-methylsulfanyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-benzyl-2-methylsulfanyl-4,5-dihydroimidazole?
The canonical SMILES for 1-benzyl-2-methylsulfanyl-4,5-dihydroimidazole is CSC1=NCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-methylsulfanyl-4,5-dihydroimidazole?
The InChIKey is BHTFXVVHBHJIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-14-11-12-7-8-13(11)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3.
What are the key properties of 1-benzyl-2-methylsulfanyl-4,5-dihydroimidazole?
1-benzyl-2-methylsulfanyl-4,5-dihydroimidazole has a molecular weight of 206.31 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methylsulfanyl-4,5-dihydroimidazole is sourced from PubChem (CID 2806719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).