4-methyl-2-[(4-methyl-1-propan-2-ylimidazol-2-yl)disulfanyl]-1-propan-2-ylimidazole

C14H22N4S2 — CID 139889388

IUPAC4-methyl-2-[(4-methyl-1-propan-2-ylimidazol-2-yl)disulfanyl]-1-propan-2-ylimidazole
SMILESCc1cn(C(C)C)c(SSc2nc(C)cn2C(C)C)n1
InChIInChI=1S/C14H22N4S2/c1-9(2)17-7-11(5)15-13(17)19-20-14-16-12(6)8-18(14)10(3)4/h7-10H,1-6H3
InChIKeyZAPKHSNYTMUCNE-UHFFFAOYSA-N
MW310.49 g/mol
LogP4.66
Rot. Bonds5

About 4-methyl-2-[(4-methyl-1-propan-2-ylimidazol-2-yl)disulfanyl]-1-propan-2-ylimidazole

4-methyl-2-[(4-methyl-1-propan-2-ylimidazol-2-yl)disulfanyl]-1-propan-2-ylimidazole (PubChem CID 139889388) has the molecular formula C14H22N4S2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 4-methyl-2-[(4-methyl-1-propan-2-ylimidazol-2-yl)disulfanyl]-1-propan-2-ylimidazole.

Molecular Properties

Compound Name4-methyl-2-[(4-methyl-1-propan-2-ylimidazol-2-yl)disulfanyl]-1-propan-2-ylimidazole
PubChem CID139889388
Molecular FormulaC14H22N4S2
Molecular Weight310.49 g/mol
Exact Mass310.13
IUPAC Name4-methyl-2-[(4-methyl-1-propan-2-ylimidazol-2-yl)disulfanyl]-1-propan-2-ylimidazole
SMILESCc1cn(C(C)C)c(SSc2nc(C)cn2C(C)C)n1
InChIInChI=1S/C14H22N4S2/c1-9(2)17-7-11(5)15-13(17)19-20-14-16-12(6)8-18(14)10(3)4/h7-10H,1-6H3
InChIKeyZAPKHSNYTMUCNE-UHFFFAOYSA-N
XLogP4.66
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methyl-1-propan-2-ylimidazol-2-yl)disulfanyl]-1-propan-2-ylimidazole?
The IUPAC name of 4-methyl-2-[(4-methyl-1-propan-2-ylimidazol-2-yl)disulfanyl]-1-propan-2-ylimidazole (CID 139889388) is 4-methyl-2-[(4-methyl-1-propan-2-ylimidazol-2-yl)disulfanyl]-1-propan-2-ylimidazole.
What is the SMILES notation for 4-methyl-2-[(4-methyl-1-propan-2-ylimidazol-2-yl)disulfanyl]-1-propan-2-ylimidazole?
The canonical SMILES for 4-methyl-2-[(4-methyl-1-propan-2-ylimidazol-2-yl)disulfanyl]-1-propan-2-ylimidazole is Cc1cn(C(C)C)c(SSc2nc(C)cn2C(C)C)n1.
What is the InChIKey of 4-methyl-2-[(4-methyl-1-propan-2-ylimidazol-2-yl)disulfanyl]-1-propan-2-ylimidazole?
The InChIKey is ZAPKHSNYTMUCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S2/c1-9(2)17-7-11(5)15-13(17)19-20-14-16-12(6)8-18(14)10(3)4/h7-10H,1-6H3.
What are the key properties of 4-methyl-2-[(4-methyl-1-propan-2-ylimidazol-2-yl)disulfanyl]-1-propan-2-ylimidazole?
4-methyl-2-[(4-methyl-1-propan-2-ylimidazol-2-yl)disulfanyl]-1-propan-2-ylimidazole has a molecular weight of 310.49 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methyl-1-propan-2-ylimidazol-2-yl)disulfanyl]-1-propan-2-ylimidazole is sourced from PubChem (CID 139889388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).