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

C22H29ClN2S — CID 16667419

IUPAC1-benzyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydroimidazole;hydrochloride
SMILESCc1c(C)c(C)c(CSC2=NCCN2Cc2ccccc2)c(C)c1C.Cl
InChIInChI=1S/C22H28N2S.ClH/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;1H
InChIKeyJIZUIOSGNAOPHZ-UHFFFAOYSA-N
MW389.01 g/mol
LogP5.76
Rot. Bonds4

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

1-benzyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydroimidazole;hydrochloride (PubChem CID 16667419) has the molecular formula C22H29ClN2S and a molecular weight of 389.01 g/mol. Its IUPAC name is 1-benzyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydroimidazole;hydrochloride.

Molecular Properties

Compound Name1-benzyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydroimidazole;hydrochloride
PubChem CID16667419
Molecular FormulaC22H29ClN2S
Molecular Weight389.01 g/mol
Exact Mass388.17
IUPAC Name1-benzyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydroimidazole;hydrochloride
SMILESCc1c(C)c(C)c(CSC2=NCCN2Cc2ccccc2)c(C)c1C.Cl
InChIInChI=1S/C22H28N2S.ClH/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;1H
InChIKeyJIZUIOSGNAOPHZ-UHFFFAOYSA-N
XLogP5.76
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.01
LogP ≤ 55.76
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;hydrochloride?
The IUPAC name of 1-benzyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydroimidazole;hydrochloride (CID 16667419) is 1-benzyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydroimidazole;hydrochloride.
What is the SMILES notation for 1-benzyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydroimidazole;hydrochloride?
The canonical SMILES for 1-benzyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydroimidazole;hydrochloride is Cc1c(C)c(C)c(CSC2=NCCN2Cc2ccccc2)c(C)c1C.Cl.
What is the InChIKey of 1-benzyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydroimidazole;hydrochloride?
The InChIKey is JIZUIOSGNAOPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2S.ClH/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;1H.
What are the key properties of 1-benzyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydroimidazole;hydrochloride?
1-benzyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-4,5-dihydroimidazole;hydrochloride has a molecular weight of 389.01 g/mol, XLogP of 5.76, 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;hydrochloride is sourced from PubChem (CID 16667419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).