4H-imidazole

C3H4N2 — CID 12744656

IUPAC4H-imidazole
SMILESC1=NC=NC1
InChIInChI=1S/C3H4N2/c1-2-5-3-4-1/h1,3H,2H2
InChIKeyLGRQUXHYJBFGTM-UHFFFAOYSA-N
MW68.08 g/mol
LogP0.10
Rot. Bonds

About 4H-imidazole

4H-imidazole (PubChem CID 12744656) has the molecular formula C3H4N2 and a molecular weight of 68.08 g/mol. Its IUPAC name is 4H-imidazole.

Molecular Properties

Compound Name4H-imidazole
PubChem CID12744656
Molecular FormulaC3H4N2
Molecular Weight68.08 g/mol
Exact Mass68.04
IUPAC Name4H-imidazole
SMILESC1=NC=NC1
InChIInChI=1S/C3H4N2/c1-2-5-3-4-1/h1,3H,2H2
InChIKeyLGRQUXHYJBFGTM-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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Related Compounds

4h-Imidazole 1-oxide
CID 129780870
2H-imidazole
CID 5288099
Methyl 4h imidazole
CID 19389518
4h-Imidazole hydrochloride
CID 129789055
2-fluoro-4H-imidazole
CID 98454596
Imidazol-5-ylidene copper
CID 129892100
N-methylimidazolimine
CID 153819490
4H-imidazol-2-amine
CID 12744657
copper;4H-imidazole;dichloride
CID 20292010
cobalt(2+);4H-imidazole;dichloride
CID 20315177
sodium;4H-imidazole;chloride
CID 20553853
Imidazol-1-ium
CID 20778763

Frequently Asked Questions

What is the IUPAC name of 4H-imidazole?
The IUPAC name of 4H-imidazole (CID 12744656) is 4H-imidazole.
What is the SMILES notation for 4H-imidazole?
The canonical SMILES for 4H-imidazole is C1=NC=NC1.
What is the InChIKey of 4H-imidazole?
The InChIKey is LGRQUXHYJBFGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2/c1-2-5-3-4-1/h1,3H,2H2.
What are the key properties of 4H-imidazole?
4H-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 4H-imidazole is sourced from PubChem (CID 12744656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).