1-methyl-4,5-dihydroimidazol-4-ol

C4H8N2O — CID 154388064

IUPAC1-methyl-4,5-dihydroimidazol-4-ol
SMILESCN1C=NC(O)C1
InChIInChI=1S/C4H8N2O/c1-6-2-4(7)5-3-6/h3-4,7H,2H2,1H3
InChIKeyDNVFIUUUMNPIMY-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.72
Rot. Bonds

About 1-methyl-4,5-dihydroimidazol-4-ol

1-methyl-4,5-dihydroimidazol-4-ol (PubChem CID 154388064) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 1-methyl-4,5-dihydroimidazol-4-ol.

Molecular Properties

Compound Name1-methyl-4,5-dihydroimidazol-4-ol
PubChem CID154388064
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name1-methyl-4,5-dihydroimidazol-4-ol
SMILESCN1C=NC(O)C1
InChIInChI=1S/C4H8N2O/c1-6-2-4(7)5-3-6/h3-4,7H,2H2,1H3
InChIKeyDNVFIUUUMNPIMY-UHFFFAOYSA-N
XLogP-0.72
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,5-dihydroimidazol-4-ol?
The IUPAC name of 1-methyl-4,5-dihydroimidazol-4-ol (CID 154388064) is 1-methyl-4,5-dihydroimidazol-4-ol.
What is the SMILES notation for 1-methyl-4,5-dihydroimidazol-4-ol?
The canonical SMILES for 1-methyl-4,5-dihydroimidazol-4-ol is CN1C=NC(O)C1.
What is the InChIKey of 1-methyl-4,5-dihydroimidazol-4-ol?
The InChIKey is DNVFIUUUMNPIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c1-6-2-4(7)5-3-6/h3-4,7H,2H2,1H3.
What are the key properties of 1-methyl-4,5-dihydroimidazol-4-ol?
1-methyl-4,5-dihydroimidazol-4-ol has a molecular weight of 100.12 g/mol, XLogP of -0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,5-dihydroimidazol-4-ol is sourced from PubChem (CID 154388064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).