2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4,5-dihydro-1H-imidazole

C8H14N4 — CID 12535969

IUPAC2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4,5-dihydro-1H-imidazole
SMILESC1CNC(CCC2=NCCN2)=N1
InChIInChI=1S/C8H14N4/c1(7-9-3-4-10-7)2-8-11-5-6-12-8/h1-6H2,(H,9,10)(H,11,12)
InChIKeyPAXWLTYJLZNRCX-UHFFFAOYSA-N
MW166.23 g/mol
LogP-0.23
Rot. Bonds3

About 2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4,5-dihydro-1H-imidazole

2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4,5-dihydro-1H-imidazole (PubChem CID 12535969) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4,5-dihydro-1H-imidazole
PubChem CID12535969
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4,5-dihydro-1H-imidazole
SMILESC1CNC(CCC2=NCCN2)=N1
InChIInChI=1S/C8H14N4/c1(7-9-3-4-10-7)2-8-11-5-6-12-8/h1-6H2,(H,9,10)(H,11,12)
InChIKeyPAXWLTYJLZNRCX-UHFFFAOYSA-N
XLogP-0.23
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4,5-dihydro-1H-imidazole (CID 12535969) is 2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4,5-dihydro-1H-imidazole is C1CNC(CCC2=NCCN2)=N1.
What is the InChIKey of 2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4,5-dihydro-1H-imidazole?
The InChIKey is PAXWLTYJLZNRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1(7-9-3-4-10-7)2-8-11-5-6-12-8/h1-6H2,(H,9,10)(H,11,12).
What are the key properties of 2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4,5-dihydro-1H-imidazole?
2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4,5-dihydro-1H-imidazole has a molecular weight of 166.23 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 12535969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).