1-methyl-5-(propan-2-yloxymethyl)imidazole

C8H14N2O — CID 117192815

IUPAC1-methyl-5-(propan-2-yloxymethyl)imidazole
SMILESCC(C)OCc1cncn1C
InChIInChI=1S/C8H14N2O/c1-7(2)11-5-8-4-9-6-10(8)3/h4,6-7H,5H2,1-3H3
InChIKeyCOERUPVHSFARRX-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.35
Rot. Bonds3

About 1-methyl-5-(propan-2-yloxymethyl)imidazole

1-methyl-5-(propan-2-yloxymethyl)imidazole (PubChem CID 117192815) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-methyl-5-(propan-2-yloxymethyl)imidazole.

Molecular Properties

Compound Name1-methyl-5-(propan-2-yloxymethyl)imidazole
PubChem CID117192815
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-methyl-5-(propan-2-yloxymethyl)imidazole
SMILESCC(C)OCc1cncn1C
InChIInChI=1S/C8H14N2O/c1-7(2)11-5-8-4-9-6-10(8)3/h4,6-7H,5H2,1-3H3
InChIKeyCOERUPVHSFARRX-UHFFFAOYSA-N
XLogP1.35
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylimidazol-4-yl)methoxy]ethanamine
CID 106938056
1-methyl-5-[(2-propan-2-ylphenoxy)methyl]imidazole
CID 66142372
1-methyl-5-[(2S)-2-methylbutyl]imidazole
CID 89173757
3-[(3-methylimidazol-4-yl)methoxy]propan-1-amine
CID 106938081
(1S)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66142329
(1S)-1-[3-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66139527
1-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]imidazole
CID 106938738
ethane;1-methyl-5-propylimidazole
CID 143528029
5-(2-chloroethyl)-1-methylimidazole
CID 55303356
N-[[3,5-dimethyl-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 66141916
ethane;2-[(3-methylimidazol-4-yl)methoxy]-N-[(Z)-1-pyridin-2-ylprop-1-enyl]propan-1-imine
CID 142517353
[1-(3-methylimidazol-4-yl)-2-propan-2-yloxyethyl]hydrazine
CID 105264789

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(propan-2-yloxymethyl)imidazole?
The IUPAC name of 1-methyl-5-(propan-2-yloxymethyl)imidazole (CID 117192815) is 1-methyl-5-(propan-2-yloxymethyl)imidazole.
What is the SMILES notation for 1-methyl-5-(propan-2-yloxymethyl)imidazole?
The canonical SMILES for 1-methyl-5-(propan-2-yloxymethyl)imidazole is CC(C)OCc1cncn1C.
What is the InChIKey of 1-methyl-5-(propan-2-yloxymethyl)imidazole?
The InChIKey is COERUPVHSFARRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(2)11-5-8-4-9-6-10(8)3/h4,6-7H,5H2,1-3H3.
What are the key properties of 1-methyl-5-(propan-2-yloxymethyl)imidazole?
1-methyl-5-(propan-2-yloxymethyl)imidazole has a molecular weight of 154.21 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(propan-2-yloxymethyl)imidazole is sourced from PubChem (CID 117192815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).