2-(2,5-dihydro-1H-imidazol-2-yl)-2H-imidazole

C6H8N4 — CID 89220850

IUPAC2-(2,5-dihydro-1H-imidazol-2-yl)-2H-imidazole
SMILESC1=NC(C2N=CCN2)N=C1
InChIInChI=1S/C6H8N4/c1-2-8-5(7-1)6-9-3-4-10-6/h1-3,5-6,10H,4H2
InChIKeyGSYQIGPHHOKHRO-UHFFFAOYSA-N
MW136.16 g/mol
LogP-0.53
Rot. Bonds1

About 2-(2,5-dihydro-1H-imidazol-2-yl)-2H-imidazole

2-(2,5-dihydro-1H-imidazol-2-yl)-2H-imidazole (PubChem CID 89220850) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 2-(2,5-dihydro-1H-imidazol-2-yl)-2H-imidazole.

Molecular Properties

Compound Name2-(2,5-dihydro-1H-imidazol-2-yl)-2H-imidazole
PubChem CID89220850
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name2-(2,5-dihydro-1H-imidazol-2-yl)-2H-imidazole
SMILESC1=NC(C2N=CCN2)N=C1
InChIInChI=1S/C6H8N4/c1-2-8-5(7-1)6-9-3-4-10-6/h1-3,5-6,10H,4H2
InChIKeyGSYQIGPHHOKHRO-UHFFFAOYSA-N
XLogP-0.53
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydro-1H-imidazol-2-yl)-2H-imidazole?
The IUPAC name of 2-(2,5-dihydro-1H-imidazol-2-yl)-2H-imidazole (CID 89220850) is 2-(2,5-dihydro-1H-imidazol-2-yl)-2H-imidazole.
What is the SMILES notation for 2-(2,5-dihydro-1H-imidazol-2-yl)-2H-imidazole?
The canonical SMILES for 2-(2,5-dihydro-1H-imidazol-2-yl)-2H-imidazole is C1=NC(C2N=CCN2)N=C1.
What is the InChIKey of 2-(2,5-dihydro-1H-imidazol-2-yl)-2H-imidazole?
The InChIKey is GSYQIGPHHOKHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-2-8-5(7-1)6-9-3-4-10-6/h1-3,5-6,10H,4H2.
What are the key properties of 2-(2,5-dihydro-1H-imidazol-2-yl)-2H-imidazole?
2-(2,5-dihydro-1H-imidazol-2-yl)-2H-imidazole has a molecular weight of 136.16 g/mol, XLogP of -0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydro-1H-imidazol-2-yl)-2H-imidazole is sourced from PubChem (CID 89220850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).