formic acid;1H-imidazole

C4H6N2O2 — CID 67127204

IUPACformic acid;1H-imidazole
SMILESO=CO.c1c[nH]cn1
InChIInChI=1S/C3H4N2.CH2O2/c1-2-5-3-4-1;2-1-3/h1-3H,(H,4,5);1H,(H,2,3)
InChIKeyBJFIGCBESRQZMQ-UHFFFAOYSA-N
MW114.10 g/mol
LogP0.11
Rot. Bonds

About formic acid;1H-imidazole

formic acid;1H-imidazole (PubChem CID 67127204) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is formic acid;1H-imidazole.

Molecular Properties

Compound Nameformic acid;1H-imidazole
PubChem CID67127204
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Nameformic acid;1H-imidazole
SMILESO=CO.c1c[nH]cn1
InChIInChI=1S/C3H4N2.CH2O2/c1-2-5-3-4-1;2-1-3/h1-3H,(H,4,5);1H,(H,2,3)
InChIKeyBJFIGCBESRQZMQ-UHFFFAOYSA-N
XLogP0.11
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;1H-imidazole?
The IUPAC name of formic acid;1H-imidazole (CID 67127204) is formic acid;1H-imidazole.
What is the SMILES notation for formic acid;1H-imidazole?
The canonical SMILES for formic acid;1H-imidazole is O=CO.c1c[nH]cn1.
What is the InChIKey of formic acid;1H-imidazole?
The InChIKey is BJFIGCBESRQZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.CH2O2/c1-2-5-3-4-1;2-1-3/h1-3H,(H,4,5);1H,(H,2,3).
What are the key properties of formic acid;1H-imidazole?
formic acid;1H-imidazole has a molecular weight of 114.10 g/mol, XLogP of 0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1H-imidazole is sourced from PubChem (CID 67127204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).