5-benzyl-2-butan-2-ylsulfanyl-4-propan-2-yl-1H-imidazole

C17H24N2S — CID 11066132

IUPAC5-benzyl-2-butan-2-ylsulfanyl-4-propan-2-yl-1H-imidazole
SMILESCCC(C)Sc1nc(C(C)C)c(Cc2ccccc2)[nH]1
InChIInChI=1S/C17H24N2S/c1-5-13(4)20-17-18-15(16(19-17)12(2)3)11-14-9-7-6-8-10-14/h6-10,12-13H,5,11H2,1-4H3,(H,18,19)
InChIKeySDGKETDHOVYNTQ-UHFFFAOYSA-N
MW288.46 g/mol
LogP5.01
Rot. Bonds6

About 5-benzyl-2-butan-2-ylsulfanyl-4-propan-2-yl-1H-imidazole

5-benzyl-2-butan-2-ylsulfanyl-4-propan-2-yl-1H-imidazole (PubChem CID 11066132) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 5-benzyl-2-butan-2-ylsulfanyl-4-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name5-benzyl-2-butan-2-ylsulfanyl-4-propan-2-yl-1H-imidazole
PubChem CID11066132
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name5-benzyl-2-butan-2-ylsulfanyl-4-propan-2-yl-1H-imidazole
SMILESCCC(C)Sc1nc(C(C)C)c(Cc2ccccc2)[nH]1
InChIInChI=1S/C17H24N2S/c1-5-13(4)20-17-18-15(16(19-17)12(2)3)11-14-9-7-6-8-10-14/h6-10,12-13H,5,11H2,1-4H3,(H,18,19)
InChIKeySDGKETDHOVYNTQ-UHFFFAOYSA-N
XLogP5.01
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylsulfanyl)-4,5-diphenyl-1H-imidazole
CID 1549165
2-Ethylsulfanyl-4,5-diphenyl-1H-imidazole
CID 5027193
2-Cyclohexylmethylsulfanyl-4,5-diphenyl-1H-imidazole
CID 10247179
3-(1H-imidazol-5-yl)propyl N'-(4-phenylbutyl)carbamimidothioate
CID 10041484
3-(1H-imidazol-5-yl)propyl N'-[2-(4-methylphenyl)ethyl]carbamimidothioate;dihydrobromide
CID 49860092
3-(1H-imidazol-5-yl)propyl N'-(2-phenylethyl)carbamimidothioate;dihydrobromide
CID 49860102
3-(1H-imidazol-5-yl)propyl N'-(3-phenylpropyl)carbamimidothioate;dihydrobromide
CID 49860103
2-(methylthio)-4,5-diphenyl-1H-imidazole
CID 900954
2-(2-ethoxyethylsulfanyl)-4,5-diphenyl-1H-imidazole
CID 9840248
N-tert-butyl-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2477849
4,5-Dibenzyl-1H-imidazol-2-ylamine
CID 44341265
(Z)-N-[(E)-1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethylideneamino]-4-phenyl-5H-1,3-thiazol-2-imine
CID 136000706

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-butan-2-ylsulfanyl-4-propan-2-yl-1H-imidazole?
The IUPAC name of 5-benzyl-2-butan-2-ylsulfanyl-4-propan-2-yl-1H-imidazole (CID 11066132) is 5-benzyl-2-butan-2-ylsulfanyl-4-propan-2-yl-1H-imidazole.
What is the SMILES notation for 5-benzyl-2-butan-2-ylsulfanyl-4-propan-2-yl-1H-imidazole?
The canonical SMILES for 5-benzyl-2-butan-2-ylsulfanyl-4-propan-2-yl-1H-imidazole is CCC(C)Sc1nc(C(C)C)c(Cc2ccccc2)[nH]1.
What is the InChIKey of 5-benzyl-2-butan-2-ylsulfanyl-4-propan-2-yl-1H-imidazole?
The InChIKey is SDGKETDHOVYNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-5-13(4)20-17-18-15(16(19-17)12(2)3)11-14-9-7-6-8-10-14/h6-10,12-13H,5,11H2,1-4H3,(H,18,19).
What are the key properties of 5-benzyl-2-butan-2-ylsulfanyl-4-propan-2-yl-1H-imidazole?
5-benzyl-2-butan-2-ylsulfanyl-4-propan-2-yl-1H-imidazole has a molecular weight of 288.46 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-butan-2-ylsulfanyl-4-propan-2-yl-1H-imidazole is sourced from PubChem (CID 11066132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).