1-[2-(4,5-dihydroimidazol-1-yl)ethyl]-4,5-dihydroimidazole

C8H14N4 — CID 11805126

IUPAC1-[2-(4,5-dihydroimidazol-1-yl)ethyl]-4,5-dihydroimidazole
SMILESC1=NCCN1CCN1C=NCC1
InChIInChI=1S/C8H14N4/c1-3-11(7-9-1)5-6-12-4-2-10-8-12/h7-8H,1-6H2
InChIKeyIXQVRYFNGBGHEU-UHFFFAOYSA-N
MW166.23 g/mol
LogP-0.33
Rot. Bonds3

About 1-[2-(4,5-dihydroimidazol-1-yl)ethyl]-4,5-dihydroimidazole

1-[2-(4,5-dihydroimidazol-1-yl)ethyl]-4,5-dihydroimidazole (PubChem CID 11805126) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 1-[2-(4,5-dihydroimidazol-1-yl)ethyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-[2-(4,5-dihydroimidazol-1-yl)ethyl]-4,5-dihydroimidazole
PubChem CID11805126
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name1-[2-(4,5-dihydroimidazol-1-yl)ethyl]-4,5-dihydroimidazole
SMILESC1=NCCN1CCN1C=NCC1
InChIInChI=1S/C8H14N4/c1-3-11(7-9-1)5-6-12-4-2-10-8-12/h7-8H,1-6H2
InChIKeyIXQVRYFNGBGHEU-UHFFFAOYSA-N
XLogP-0.33
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,5-dihydroimidazol-1-yl)ethyl]-4,5-dihydroimidazole?
The IUPAC name of 1-[2-(4,5-dihydroimidazol-1-yl)ethyl]-4,5-dihydroimidazole (CID 11805126) is 1-[2-(4,5-dihydroimidazol-1-yl)ethyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-[2-(4,5-dihydroimidazol-1-yl)ethyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-[2-(4,5-dihydroimidazol-1-yl)ethyl]-4,5-dihydroimidazole is C1=NCCN1CCN1C=NCC1.
What is the InChIKey of 1-[2-(4,5-dihydroimidazol-1-yl)ethyl]-4,5-dihydroimidazole?
The InChIKey is IXQVRYFNGBGHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-3-11(7-9-1)5-6-12-4-2-10-8-12/h7-8H,1-6H2.
What are the key properties of 1-[2-(4,5-dihydroimidazol-1-yl)ethyl]-4,5-dihydroimidazole?
1-[2-(4,5-dihydroimidazol-1-yl)ethyl]-4,5-dihydroimidazole has a molecular weight of 166.23 g/mol, XLogP of -0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5-dihydroimidazol-1-yl)ethyl]-4,5-dihydroimidazole is sourced from PubChem (CID 11805126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).