2,5-dihydro-1H-imidazole;ethane

C5H12N2 — CID 91210345

IUPAC2,5-dihydro-1H-imidazole;ethane
SMILESC1=NCNC1.CC
InChIInChI=1S/C3H6N2.C2H6/c1-2-5-3-4-1;1-2/h1,5H,2-3H2;1-2H3
InChIKeySJUINBQUOKSHJE-UHFFFAOYSA-N
MW100.16 g/mol
LogP0.64
Rot. Bonds

About 2,5-dihydro-1H-imidazole;ethane

2,5-dihydro-1H-imidazole;ethane (PubChem CID 91210345) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is 2,5-dihydro-1H-imidazole;ethane.

Molecular Properties

Compound Name2,5-dihydro-1H-imidazole;ethane
PubChem CID91210345
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name2,5-dihydro-1H-imidazole;ethane
SMILESC1=NCNC1.CC
InChIInChI=1S/C3H6N2.C2H6/c1-2-5-3-4-1;1-2/h1,5H,2-3H2;1-2H3
InChIKeySJUINBQUOKSHJE-UHFFFAOYSA-N
XLogP0.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1H-imidazole;ethane?
The IUPAC name of 2,5-dihydro-1H-imidazole;ethane (CID 91210345) is 2,5-dihydro-1H-imidazole;ethane.
What is the SMILES notation for 2,5-dihydro-1H-imidazole;ethane?
The canonical SMILES for 2,5-dihydro-1H-imidazole;ethane is C1=NCNC1.CC.
What is the InChIKey of 2,5-dihydro-1H-imidazole;ethane?
The InChIKey is SJUINBQUOKSHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2.C2H6/c1-2-5-3-4-1;1-2/h1,5H,2-3H2;1-2H3.
What are the key properties of 2,5-dihydro-1H-imidazole;ethane?
2,5-dihydro-1H-imidazole;ethane has a molecular weight of 100.16 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-imidazole;ethane is sourced from PubChem (CID 91210345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).