2H-imidazole

C3H4N2 — CID 5288099

IUPAC2H-imidazole
SMILESC1=NCN=C1
InChIInChI=1S/C3H4N2/c1-2-5-3-4-1/h1-2H,3H2
InChIKeyACVSHQGHCWUJFU-UHFFFAOYSA-N
MW68.08 g/mol
LogP0.10
Rot. Bonds

About 2H-imidazole

2H-imidazole (PubChem CID 5288099) has the molecular formula C3H4N2 and a molecular weight of 68.08 g/mol. Its IUPAC name is 2H-imidazole.

Molecular Properties

Compound Name2H-imidazole
PubChem CID5288099
Molecular FormulaC3H4N2
Molecular Weight68.08 g/mol
Exact Mass68.04
IUPAC Name2H-imidazole
SMILESC1=NCN=C1
InChIInChI=1S/C3H4N2/c1-2-5-3-4-1/h1-2H,3H2
InChIKeyACVSHQGHCWUJFU-UHFFFAOYSA-N
XLogP0.10
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50068.08
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-imidazole?
The IUPAC name of 2H-imidazole (CID 5288099) is 2H-imidazole.
What is the SMILES notation for 2H-imidazole?
The canonical SMILES for 2H-imidazole is C1=NCN=C1.
What is the InChIKey of 2H-imidazole?
The InChIKey is ACVSHQGHCWUJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-2H,3H2.
What are the key properties of 2H-imidazole?
2H-imidazole has a molecular weight of 68.08 g/mol, XLogP of 0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-imidazole is sourced from PubChem (CID 5288099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).