2-benzylsulfanyl-1H-imidazole

C10H10N2S — CID 22179724

IUPAC2-benzylsulfanyl-1H-imidazole
SMILESc1ccc(CSc2ncc[nH]2)cc1
InChIInChI=1S/C10H10N2S/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10/h1-7H,8H2,(H,11,12)
InChIKeyNPBMCLWRSOFTTI-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.70
Rot. Bonds3

About 2-benzylsulfanyl-1H-imidazole

2-benzylsulfanyl-1H-imidazole (PubChem CID 22179724) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-benzylsulfanyl-1H-imidazole.

Molecular Properties

Compound Name2-benzylsulfanyl-1H-imidazole
PubChem CID22179724
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name2-benzylsulfanyl-1H-imidazole
SMILESc1ccc(CSc2ncc[nH]2)cc1
InChIInChI=1S/C10H10N2S/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10/h1-7H,8H2,(H,11,12)
InChIKeyNPBMCLWRSOFTTI-UHFFFAOYSA-N
XLogP2.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3035746
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4-Benzyl-1-[3-(1H-imidazol-2-ylsulfanyl)-propyl]-piperidine
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3-(1H-imidazol-5-yl)propyl N'-(2-phenylethyl)carbamimidothioate;dihydrobromide
CID 49860102
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CID 49860103
1-(2-Benzylsulfanylethyl)imidazole
CID 58580501
Benzyl imidazole-1-carbodithioate
CID 12149453
2-benzylsulfonyl-1H-imidazole
CID 20395938
2-benzylsulfinyl-1H-imidazole
CID 21620204
1-Methylimidazole, 2-benzylthio-
CID 563318
5-phenylsulfanyl-1H-imidazole
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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-1H-imidazole?
The IUPAC name of 2-benzylsulfanyl-1H-imidazole (CID 22179724) is 2-benzylsulfanyl-1H-imidazole.
What is the SMILES notation for 2-benzylsulfanyl-1H-imidazole?
The canonical SMILES for 2-benzylsulfanyl-1H-imidazole is c1ccc(CSc2ncc[nH]2)cc1.
What is the InChIKey of 2-benzylsulfanyl-1H-imidazole?
The InChIKey is NPBMCLWRSOFTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10/h1-7H,8H2,(H,11,12).
What are the key properties of 2-benzylsulfanyl-1H-imidazole?
2-benzylsulfanyl-1H-imidazole has a molecular weight of 190.27 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-1H-imidazole is sourced from PubChem (CID 22179724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).