4H-imidazole-2-carboxamide

C4H5N3O — CID 67837227

IUPAC4H-imidazole-2-carboxamide
SMILESNC(=O)C1=NCC=N1
InChIInChI=1S/C4H5N3O/c5-3(8)4-6-1-2-7-4/h1H,2H2,(H2,5,8)
InChIKeyAQBJVFPVLWLOSO-UHFFFAOYSA-N
MW111.10 g/mol
LogP-1.05
Rot. Bonds1

About 4H-imidazole-2-carboxamide

4H-imidazole-2-carboxamide (PubChem CID 67837227) has the molecular formula C4H5N3O and a molecular weight of 111.10 g/mol. Its IUPAC name is 4H-imidazole-2-carboxamide.

Molecular Properties

Compound Name4H-imidazole-2-carboxamide
PubChem CID67837227
Molecular FormulaC4H5N3O
Molecular Weight111.10 g/mol
Exact Mass111.04
IUPAC Name4H-imidazole-2-carboxamide
SMILESNC(=O)C1=NCC=N1
InChIInChI=1S/C4H5N3O/c5-3(8)4-6-1-2-7-4/h1H,2H2,(H2,5,8)
InChIKeyAQBJVFPVLWLOSO-UHFFFAOYSA-N
XLogP-1.05
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4H-imidazole-2-carboxamide?
The IUPAC name of 4H-imidazole-2-carboxamide (CID 67837227) is 4H-imidazole-2-carboxamide.
What is the SMILES notation for 4H-imidazole-2-carboxamide?
The canonical SMILES for 4H-imidazole-2-carboxamide is NC(=O)C1=NCC=N1.
What is the InChIKey of 4H-imidazole-2-carboxamide?
The InChIKey is AQBJVFPVLWLOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O/c5-3(8)4-6-1-2-7-4/h1H,2H2,(H2,5,8).
What are the key properties of 4H-imidazole-2-carboxamide?
4H-imidazole-2-carboxamide has a molecular weight of 111.10 g/mol, XLogP of -1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-imidazole-2-carboxamide is sourced from PubChem (CID 67837227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).