4,5-dihydroimidazole-1-carboxamide;hydrate

C4H9N3O2 — CID 141225004

IUPAC4,5-dihydroimidazole-1-carboxamide;hydrate
SMILESNC(=O)N1C=NCC1.O
InChIInChI=1S/C4H7N3O.H2O/c5-4(8)7-2-1-6-3-7;/h3H,1-2H2,(H2,5,8);1H2
InChIKeyIGDLZBKOXLQWTF-UHFFFAOYSA-N
MW131.13 g/mol
LogP-1.42
Rot. Bonds

About 4,5-dihydroimidazole-1-carboxamide;hydrate

4,5-dihydroimidazole-1-carboxamide;hydrate (PubChem CID 141225004) has the molecular formula C4H9N3O2 and a molecular weight of 131.13 g/mol. Its IUPAC name is 4,5-dihydroimidazole-1-carboxamide;hydrate.

Molecular Properties

Compound Name4,5-dihydroimidazole-1-carboxamide;hydrate
PubChem CID141225004
Molecular FormulaC4H9N3O2
Molecular Weight131.13 g/mol
Exact Mass131.07
IUPAC Name4,5-dihydroimidazole-1-carboxamide;hydrate
SMILESNC(=O)N1C=NCC1.O
InChIInChI=1S/C4H7N3O.H2O/c5-4(8)7-2-1-6-3-7;/h3H,1-2H2,(H2,5,8);1H2
InChIKeyIGDLZBKOXLQWTF-UHFFFAOYSA-N
XLogP-1.42
TPSA90.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,5-dihydroimidazole-1-carboxamide;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroimidazole-1-carboxamide;hydrate?
The IUPAC name of 4,5-dihydroimidazole-1-carboxamide;hydrate (CID 141225004) is 4,5-dihydroimidazole-1-carboxamide;hydrate.
What is the SMILES notation for 4,5-dihydroimidazole-1-carboxamide;hydrate?
The canonical SMILES for 4,5-dihydroimidazole-1-carboxamide;hydrate is NC(=O)N1C=NCC1.O.
What is the InChIKey of 4,5-dihydroimidazole-1-carboxamide;hydrate?
The InChIKey is IGDLZBKOXLQWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O.H2O/c5-4(8)7-2-1-6-3-7;/h3H,1-2H2,(H2,5,8);1H2.
What are the key properties of 4,5-dihydroimidazole-1-carboxamide;hydrate?
4,5-dihydroimidazole-1-carboxamide;hydrate has a molecular weight of 131.13 g/mol, XLogP of -1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroimidazole-1-carboxamide;hydrate is sourced from PubChem (CID 141225004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).