1-benzyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydroimidazole

C22H28N2S — CID 6710806

IUPAC1-benzyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydroimidazole
SMILESCc1c(C)c(C)c(CSC2=NCCN2Cc2ccccc2)c(C)c1C
InChIInChI=1S/C22H28N2S/c1-15-16(2)18(4)21(19(5)17(15)3)14-25-22-23-11-12-24(22)13-20-9-7-6-8-10-20/h6-10H,11-14H2,1-5H3
InChIKeyIPCITRUELNXIND-UHFFFAOYSA-N
MW352.55 g/mol
LogP5.33
Rot. Bonds4

About 1-benzyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydroimidazole

1-benzyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydroimidazole (PubChem CID 6710806) has the molecular formula C22H28N2S and a molecular weight of 352.55 g/mol. Its IUPAC name is 1-benzyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-benzyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydroimidazole
PubChem CID6710806
Molecular FormulaC22H28N2S
Molecular Weight352.55 g/mol
Exact Mass352.20
IUPAC Name1-benzyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydroimidazole
SMILESCc1c(C)c(C)c(CSC2=NCCN2Cc2ccccc2)c(C)c1C
InChIInChI=1S/C22H28N2S/c1-15-16(2)18(4)21(19(5)17(15)3)14-25-22-23-11-12-24(22)13-20-9-7-6-8-10-20/h6-10H,11-14H2,1-5H3
InChIKeyIPCITRUELNXIND-UHFFFAOYSA-N
XLogP5.33
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.55
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydroimidazole?
The IUPAC name of 1-benzyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydroimidazole (CID 6710806) is 1-benzyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-benzyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-benzyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydroimidazole is Cc1c(C)c(C)c(CSC2=NCCN2Cc2ccccc2)c(C)c1C.
What is the InChIKey of 1-benzyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydroimidazole?
The InChIKey is IPCITRUELNXIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2S/c1-15-16(2)18(4)21(19(5)17(15)3)14-25-22-23-11-12-24(22)13-20-9-7-6-8-10-20/h6-10H,11-14H2,1-5H3.
What are the key properties of 1-benzyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydroimidazole?
1-benzyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydroimidazole has a molecular weight of 352.55 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydroimidazole is sourced from PubChem (CID 6710806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).