1-(3-butoxy-2-methoxypropyl)imidazole

C11H20N2O2 — CID 163854662

IUPAC1-(3-butoxy-2-methoxypropyl)imidazole
SMILESCCCCOCC(Cn1ccnc1)OC
InChIInChI=1S/C11H20N2O2/c1-3-4-7-15-9-11(14-2)8-13-6-5-12-10-13/h5-6,10-11H,3-4,7-9H2,1-2H3
InChIKeyOXHOYUYIUAODTD-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.71
Rot. Bonds8

About 1-(3-butoxy-2-methoxypropyl)imidazole

1-(3-butoxy-2-methoxypropyl)imidazole (PubChem CID 163854662) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(3-butoxy-2-methoxypropyl)imidazole.

Molecular Properties

Compound Name1-(3-butoxy-2-methoxypropyl)imidazole
PubChem CID163854662
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(3-butoxy-2-methoxypropyl)imidazole
SMILESCCCCOCC(Cn1ccnc1)OC
InChIInChI=1S/C11H20N2O2/c1-3-4-7-15-9-11(14-2)8-13-6-5-12-10-13/h5-6,10-11H,3-4,7-9H2,1-2H3
InChIKeyOXHOYUYIUAODTD-UHFFFAOYSA-N
XLogP1.71
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(5R)-5-methoxydecyl]imidazole
CID 118890185
1-(3-butoxy-2-dodecylsulfanylpropyl)imidazole;oxalic acid
CID 21423942
1-[(2S)-1-butoxypropan-2-yl]imidazole
CID 101426266
1-(dodecoxymethyl)imidazole
CID 102264585
1-(2,2-dimethoxyethyl)imidazole
CID 12922722
(2R)-2-(imidazol-1-ylmethyl)hexan-1-ol
CID 134251043
1-[(2S)-1,5-dibutoxypentan-2-yl]imidazole
CID 101426270
1-(2-ethyltridecyl)imidazole;hydrochloride
CID 175493455
1-(3-butoxy-2-methoxypropyl)-2-methylaziridine
CID 153396392
N-(2-butoxy-3-imidazol-1-ylpropyl)-3,4-dichloroaniline
CID 23350189
1-[2-(imidazol-1-ylmethyl)hexyl]pyrazole
CID 57057005
1-(2,3-dimethylpentyl)imidazole
CID 91321632

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxy-2-methoxypropyl)imidazole?
The IUPAC name of 1-(3-butoxy-2-methoxypropyl)imidazole (CID 163854662) is 1-(3-butoxy-2-methoxypropyl)imidazole.
What is the SMILES notation for 1-(3-butoxy-2-methoxypropyl)imidazole?
The canonical SMILES for 1-(3-butoxy-2-methoxypropyl)imidazole is CCCCOCC(Cn1ccnc1)OC.
What is the InChIKey of 1-(3-butoxy-2-methoxypropyl)imidazole?
The InChIKey is OXHOYUYIUAODTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-4-7-15-9-11(14-2)8-13-6-5-12-10-13/h5-6,10-11H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(3-butoxy-2-methoxypropyl)imidazole?
1-(3-butoxy-2-methoxypropyl)imidazole has a molecular weight of 212.29 g/mol, XLogP of 1.71, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxy-2-methoxypropyl)imidazole is sourced from PubChem (CID 163854662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).