imidazol-1-yloxymethanol

C4H6N2O2 — CID 155678354

IUPACimidazol-1-yloxymethanol
SMILESOCOn1ccnc1
InChIInChI=1S/C4H6N2O2/c7-4-8-6-2-1-5-3-6/h1-3,7H,4H2
InChIKeyCFSCHLBIJWMTEK-UHFFFAOYSA-N
MW114.10 g/mol
LogP-0.74
Rot. Bonds2

About imidazol-1-yloxymethanol

imidazol-1-yloxymethanol (PubChem CID 155678354) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is imidazol-1-yloxymethanol.

Molecular Properties

Compound Nameimidazol-1-yloxymethanol
PubChem CID155678354
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Nameimidazol-1-yloxymethanol
SMILESOCOn1ccnc1
InChIInChI=1S/C4H6N2O2/c7-4-8-6-2-1-5-3-6/h1-3,7H,4H2
InChIKeyCFSCHLBIJWMTEK-UHFFFAOYSA-N
XLogP-0.74
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-butoxyimidazole
CID 89011034
4-imidazol-1-yloxybutanoic acid
CID 175506459
5-imidazol-1-yloxypentanoic acid
CID 3613715
1-(4-methylpentoxy)imidazole
CID 67927099
ethyl imidazol-1-yl carbonate
CID 174735954
1-[(4-bromophenyl)methoxy]imidazole
CID 1491058
imidazol-1-yl but-3-enoate
CID 174567712
2-imidazol-1-ylethanol
CID 159023310
imidazol-1-yl pyrrolidine-1-carboxylate
CID 175327814
imidazol-1-yl hexanoate;iron
CID 175419360
imidazol-1-yl heptanoate
CID 175410491
imidazol-1-yl tetradecanoate
CID 175546759

Frequently Asked Questions

What is the IUPAC name of imidazol-1-yloxymethanol?
The IUPAC name of imidazol-1-yloxymethanol (CID 155678354) is imidazol-1-yloxymethanol.
What is the SMILES notation for imidazol-1-yloxymethanol?
The canonical SMILES for imidazol-1-yloxymethanol is OCOn1ccnc1.
What is the InChIKey of imidazol-1-yloxymethanol?
The InChIKey is CFSCHLBIJWMTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2/c7-4-8-6-2-1-5-3-6/h1-3,7H,4H2.
What are the key properties of imidazol-1-yloxymethanol?
imidazol-1-yloxymethanol has a molecular weight of 114.10 g/mol, XLogP of -0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yloxymethanol is sourced from PubChem (CID 155678354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).