(1,4-dimethylimidazol-2-yl)methanol

C6H10N2O — CID 12923402

IUPAC(1,4-dimethylimidazol-2-yl)methanol
SMILESCc1cn(C)c(CO)n1
InChIInChI=1S/C6H10N2O/c1-5-3-8(2)6(4-9)7-5/h3,9H,4H2,1-2H3
InChIKeyPUSRNHMKIQVRHH-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.22
Rot. Bonds1

About (1,4-dimethylimidazol-2-yl)methanol

(1,4-dimethylimidazol-2-yl)methanol (PubChem CID 12923402) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (1,4-dimethylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(1,4-dimethylimidazol-2-yl)methanol
PubChem CID12923402
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(1,4-dimethylimidazol-2-yl)methanol
SMILESCc1cn(C)c(CO)n1
InChIInChI=1S/C6H10N2O/c1-5-3-8(2)6(4-9)7-5/h3,9H,4H2,1-2H3
InChIKeyPUSRNHMKIQVRHH-UHFFFAOYSA-N
XLogP0.22
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylimidazol-2-yl)methanol?
The IUPAC name of (1,4-dimethylimidazol-2-yl)methanol (CID 12923402) is (1,4-dimethylimidazol-2-yl)methanol.
What is the SMILES notation for (1,4-dimethylimidazol-2-yl)methanol?
The canonical SMILES for (1,4-dimethylimidazol-2-yl)methanol is Cc1cn(C)c(CO)n1.
What is the InChIKey of (1,4-dimethylimidazol-2-yl)methanol?
The InChIKey is PUSRNHMKIQVRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5-3-8(2)6(4-9)7-5/h3,9H,4H2,1-2H3.
What are the key properties of (1,4-dimethylimidazol-2-yl)methanol?
(1,4-dimethylimidazol-2-yl)methanol has a molecular weight of 126.16 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylimidazol-2-yl)methanol is sourced from PubChem (CID 12923402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).