1,3-dimethyl-2H-imidazol-2-ol

C5H10N2O — CID 102484971

IUPAC1,3-dimethyl-2H-imidazol-2-ol
SMILESCN1C=CN(C)C1O
InChIInChI=1S/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-5,8H,1-2H3
InChIKeyZNGBANLUHQXVJP-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.39
Rot. Bonds

About 1,3-dimethyl-2H-imidazol-2-ol

1,3-dimethyl-2H-imidazol-2-ol (PubChem CID 102484971) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 1,3-dimethyl-2H-imidazol-2-ol.

Molecular Properties

Compound Name1,3-dimethyl-2H-imidazol-2-ol
PubChem CID102484971
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name1,3-dimethyl-2H-imidazol-2-ol
SMILESCN1C=CN(C)C1O
InChIInChI=1S/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-5,8H,1-2H3
InChIKeyZNGBANLUHQXVJP-UHFFFAOYSA-N
XLogP-0.39
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2H-imidazol-2-ol?
The IUPAC name of 1,3-dimethyl-2H-imidazol-2-ol (CID 102484971) is 1,3-dimethyl-2H-imidazol-2-ol.
What is the SMILES notation for 1,3-dimethyl-2H-imidazol-2-ol?
The canonical SMILES for 1,3-dimethyl-2H-imidazol-2-ol is CN1C=CN(C)C1O.
What is the InChIKey of 1,3-dimethyl-2H-imidazol-2-ol?
The InChIKey is ZNGBANLUHQXVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-5,8H,1-2H3.
What are the key properties of 1,3-dimethyl-2H-imidazol-2-ol?
1,3-dimethyl-2H-imidazol-2-ol has a molecular weight of 114.15 g/mol, XLogP of -0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2H-imidazol-2-ol is sourced from PubChem (CID 102484971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).