4-methoxy-1,3-dimethyl-2H-imidazole

C6H12N2O — CID 151431824

IUPAC4-methoxy-1,3-dimethyl-2H-imidazole
SMILESCOC1=CN(C)CN1C
InChIInChI=1S/C6H12N2O/c1-7-4-6(9-3)8(2)5-7/h4H,5H2,1-3H3
InChIKeyPCRAAAAFKADTDO-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.27
Rot. Bonds1

About 4-methoxy-1,3-dimethyl-2H-imidazole

4-methoxy-1,3-dimethyl-2H-imidazole (PubChem CID 151431824) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 4-methoxy-1,3-dimethyl-2H-imidazole.

Molecular Properties

Compound Name4-methoxy-1,3-dimethyl-2H-imidazole
PubChem CID151431824
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name4-methoxy-1,3-dimethyl-2H-imidazole
SMILESCOC1=CN(C)CN1C
InChIInChI=1S/C6H12N2O/c1-7-4-6(9-3)8(2)5-7/h4H,5H2,1-3H3
InChIKeyPCRAAAAFKADTDO-UHFFFAOYSA-N
XLogP0.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,3-dimethyl-2H-imidazole?
The IUPAC name of 4-methoxy-1,3-dimethyl-2H-imidazole (CID 151431824) is 4-methoxy-1,3-dimethyl-2H-imidazole.
What is the SMILES notation for 4-methoxy-1,3-dimethyl-2H-imidazole?
The canonical SMILES for 4-methoxy-1,3-dimethyl-2H-imidazole is COC1=CN(C)CN1C.
What is the InChIKey of 4-methoxy-1,3-dimethyl-2H-imidazole?
The InChIKey is PCRAAAAFKADTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-7-4-6(9-3)8(2)5-7/h4H,5H2,1-3H3.
What are the key properties of 4-methoxy-1,3-dimethyl-2H-imidazole?
4-methoxy-1,3-dimethyl-2H-imidazole has a molecular weight of 128.17 g/mol, XLogP of 0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,3-dimethyl-2H-imidazole is sourced from PubChem (CID 151431824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).