2,5-dihydro-1H-imidazole;4,5-dihydro-1H-imidazole

C6H12N4 — CID 144686107

IUPAC2,5-dihydro-1H-imidazole;4,5-dihydro-1H-imidazole
SMILESC1=NCCN1.C1=NCNC1
InChIInChI=1S/2C3H6N2/c2*1-2-5-3-4-1/h3H,1-2H2,(H,4,5);1,5H,2-3H2
InChIKeyLALFIAGVWZQLFV-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.76
Rot. Bonds

About 2,5-dihydro-1H-imidazole;4,5-dihydro-1H-imidazole

2,5-dihydro-1H-imidazole;4,5-dihydro-1H-imidazole (PubChem CID 144686107) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 2,5-dihydro-1H-imidazole;4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2,5-dihydro-1H-imidazole;4,5-dihydro-1H-imidazole
PubChem CID144686107
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name2,5-dihydro-1H-imidazole;4,5-dihydro-1H-imidazole
SMILESC1=NCCN1.C1=NCNC1
InChIInChI=1S/2C3H6N2/c2*1-2-5-3-4-1/h3H,1-2H2,(H,4,5);1,5H,2-3H2
InChIKeyLALFIAGVWZQLFV-UHFFFAOYSA-N
XLogP-0.76
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1H-imidazole;4,5-dihydro-1H-imidazole?
The IUPAC name of 2,5-dihydro-1H-imidazole;4,5-dihydro-1H-imidazole (CID 144686107) is 2,5-dihydro-1H-imidazole;4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2,5-dihydro-1H-imidazole;4,5-dihydro-1H-imidazole?
The canonical SMILES for 2,5-dihydro-1H-imidazole;4,5-dihydro-1H-imidazole is C1=NCCN1.C1=NCNC1.
What is the InChIKey of 2,5-dihydro-1H-imidazole;4,5-dihydro-1H-imidazole?
The InChIKey is LALFIAGVWZQLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6N2/c2*1-2-5-3-4-1/h3H,1-2H2,(H,4,5);1,5H,2-3H2.
What are the key properties of 2,5-dihydro-1H-imidazole;4,5-dihydro-1H-imidazole?
2,5-dihydro-1H-imidazole;4,5-dihydro-1H-imidazole has a molecular weight of 140.19 g/mol, XLogP of -0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-imidazole;4,5-dihydro-1H-imidazole is sourced from PubChem (CID 144686107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).