2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole

C8H10N4S — CID 15212461

IUPAC2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole
SMILESc1c[nH]c(SCCc2cnc[nH]2)n1
InChIInChI=1S/C8H10N4S/c1(7-5-9-6-12-7)4-13-8-10-2-3-11-8/h2-3,5-6H,1,4H2,(H,9,12)(H,10,11)
InChIKeyQHOASVPIWATXCZ-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.47
Rot. Bonds4

About 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole

2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole (PubChem CID 15212461) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole
PubChem CID15212461
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole
SMILESc1c[nH]c(SCCc2cnc[nH]2)n1
InChIInChI=1S/C8H10N4S/c1(7-5-9-6-12-7)4-13-8-10-2-3-11-8/h2-3,5-6H,1,4H2,(H,9,12)(H,10,11)
InChIKeyQHOASVPIWATXCZ-UHFFFAOYSA-N
XLogP1.47
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole?
The IUPAC name of 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole (CID 15212461) is 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole.
What is the SMILES notation for 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole?
The canonical SMILES for 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole is c1c[nH]c(SCCc2cnc[nH]2)n1.
What is the InChIKey of 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole?
The InChIKey is QHOASVPIWATXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1(7-5-9-6-12-7)4-13-8-10-2-3-11-8/h2-3,5-6H,1,4H2,(H,9,12)(H,10,11).
What are the key properties of 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole?
2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole has a molecular weight of 194.26 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazole is sourced from PubChem (CID 15212461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).