5-methanimidoyl-1H-imidazol-4-ol

C4H5N3O — CID 135768762

IUPAC5-methanimidoyl-1H-imidazol-4-ol
SMILES[H]/N=C/c1[nH]cnc1O
InChIInChI=1S/C4H5N3O/c5-1-3-4(8)7-2-6-3/h1-2,5,8H,(H,6,7)/b5-1+
InChIKeyHGDRPIYAZGSQQJ-ORCRQEGFSA-N
MW111.10 g/mol
LogP0.11
Rot. Bonds1

About 5-methanimidoyl-1H-imidazol-4-ol

5-methanimidoyl-1H-imidazol-4-ol (PubChem CID 135768762) has the molecular formula C4H5N3O and a molecular weight of 111.10 g/mol. Its IUPAC name is 5-methanimidoyl-1H-imidazol-4-ol.

Molecular Properties

Compound Name5-methanimidoyl-1H-imidazol-4-ol
PubChem CID135768762
Molecular FormulaC4H5N3O
Molecular Weight111.10 g/mol
Exact Mass111.04
IUPAC Name5-methanimidoyl-1H-imidazol-4-ol
SMILES[H]/N=C/c1[nH]cnc1O
InChIInChI=1S/C4H5N3O/c5-1-3-4(8)7-2-6-3/h1-2,5,8H,(H,6,7)/b5-1+
InChIKeyHGDRPIYAZGSQQJ-ORCRQEGFSA-N
XLogP0.11
TPSA72.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-1H-imidazole-5-carbonitrile
CID 337100
4-Hydroxyhistamine
CID 557598
4-methyl-1H-imidazol-5-ol
CID 54352844
2,5-dimethyl-1H-imidazol-4-ol
CID 54265485
5-[(E)-2-fluoroethenyl]-1H-imidazol-4-ol
CID 123703941
5-(2,2-difluoroethenyl)-1H-imidazol-4-ol
CID 123874025
Methyl-dihydroxy propyl imidazolium chloride
CID 134612656
4-Hydroxy-1H-imidazole-5-carbothioamide
CID 2771460
5-ethyl-1H-imidazol-4-ol
CID 14094187
2-(2-aminoethyl)-5-methyl-1H-imidazol-4-ol
CID 53800192
2-[2-hydroperoxyethyl(methyl)amino]-5-methyl-1H-imidazol-4-ol
CID 53946006
2-ethyl-5-methyl-1H-imidazol-4-ol
CID 57136495

Frequently Asked Questions

What is the IUPAC name of 5-methanimidoyl-1H-imidazol-4-ol?
The IUPAC name of 5-methanimidoyl-1H-imidazol-4-ol (CID 135768762) is 5-methanimidoyl-1H-imidazol-4-ol.
What is the SMILES notation for 5-methanimidoyl-1H-imidazol-4-ol?
The canonical SMILES for 5-methanimidoyl-1H-imidazol-4-ol is [H]/N=C/c1[nH]cnc1O.
What is the InChIKey of 5-methanimidoyl-1H-imidazol-4-ol?
The InChIKey is HGDRPIYAZGSQQJ-ORCRQEGFSA-N. The full InChI is InChI=1S/C4H5N3O/c5-1-3-4(8)7-2-6-3/h1-2,5,8H,(H,6,7)/b5-1+.
What are the key properties of 5-methanimidoyl-1H-imidazol-4-ol?
5-methanimidoyl-1H-imidazol-4-ol has a molecular weight of 111.10 g/mol, XLogP of 0.11, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methanimidoyl-1H-imidazol-4-ol is sourced from PubChem (CID 135768762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).