26832-08-6
C₄H₅N₃O·111.100 g/mol·CID 152917
IUPAC: 1H-imidazole-5-carboxamide
Also known as: Imidazole-4-carboxamide, 1H-Imidazole-5-carboxamide, DTXSID20181325, RefChem:438415, DTXCID30103816 (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
111.100g/mol
Exact Mass
111.043262Da
Monoisotopic Mass
111.043262Da
XLogP
-0.7
Polar Surface Area
71.8Ų
Complexity
103
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
2
Rotatable Bonds
1
Heavy Atoms
8
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 111.1 g/mol
MW ≤ 500
✓ -0.7
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H302Harmful if swallowedH315Causes skin irritationH319Causes serious eye irritationH335May cause respiratory irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.