4-methoxy-2-methyl-1-(1-methylimidazol-4-yl)butan-1-ol

C10H18N2O2 — CID 107978695

IUPAC4-methoxy-2-methyl-1-(1-methylimidazol-4-yl)butan-1-ol
SMILESCOCCC(C)C(O)c1cn(C)cn1
InChIInChI=1S/C10H18N2O2/c1-8(4-5-14-3)10(13)9-6-12(2)7-11-9/h6-8,10,13H,4-5H2,1-3H3
InChIKeyCZBDCFPYGJLYKO-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.13
Rot. Bonds5

About 4-methoxy-2-methyl-1-(1-methylimidazol-4-yl)butan-1-ol

4-methoxy-2-methyl-1-(1-methylimidazol-4-yl)butan-1-ol (PubChem CID 107978695) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-(1-methylimidazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-(1-methylimidazol-4-yl)butan-1-ol
PubChem CID107978695
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-methoxy-2-methyl-1-(1-methylimidazol-4-yl)butan-1-ol
SMILESCOCCC(C)C(O)c1cn(C)cn1
InChIInChI=1S/C10H18N2O2/c1-8(4-5-14-3)10(13)9-6-12(2)7-11-9/h6-8,10,13H,4-5H2,1-3H3
InChIKeyCZBDCFPYGJLYKO-UHFFFAOYSA-N
XLogP1.13
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-methoxy-2-methyl-1-(1-methylimidazol-4-yl)butan-1-amine
CID 107977608
1-(1-methylimidazol-4-yl)propane-1,2-diol
CID 130508965
2-amino-1-(1-methylimidazol-4-yl)propan-1-ol
CID 130598579
4-chloro-1-(1-methylimidazol-4-yl)butane-1,2-diol
CID 171894848
2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol
CID 130509808
N-ethyl-4-methoxy-1-(1-methylimidazol-4-yl)butan-1-amine
CID 107977818
ethyl 2,3-dihydroxy-3-(1-methylimidazol-4-yl)propanoate
CID 171867145
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylimidazol-4-yl)methanol
CID 107978687
1-(1-methylimidazol-4-yl)oct-7-en-1-ol
CID 107978815
(3,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol
CID 114023372
4-(1-methylimidazol-4-yl)butan-2-ol
CID 130509414
(1-methylimidazol-4-yl)-(propan-2-ylamino)methanol
CID 129044247

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-(1-methylimidazol-4-yl)butan-1-ol?
The IUPAC name of 4-methoxy-2-methyl-1-(1-methylimidazol-4-yl)butan-1-ol (CID 107978695) is 4-methoxy-2-methyl-1-(1-methylimidazol-4-yl)butan-1-ol.
What is the SMILES notation for 4-methoxy-2-methyl-1-(1-methylimidazol-4-yl)butan-1-ol?
The canonical SMILES for 4-methoxy-2-methyl-1-(1-methylimidazol-4-yl)butan-1-ol is COCCC(C)C(O)c1cn(C)cn1.
What is the InChIKey of 4-methoxy-2-methyl-1-(1-methylimidazol-4-yl)butan-1-ol?
The InChIKey is CZBDCFPYGJLYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8(4-5-14-3)10(13)9-6-12(2)7-11-9/h6-8,10,13H,4-5H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-1-(1-methylimidazol-4-yl)butan-1-ol?
4-methoxy-2-methyl-1-(1-methylimidazol-4-yl)butan-1-ol has a molecular weight of 198.27 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-(1-methylimidazol-4-yl)butan-1-ol is sourced from PubChem (CID 107978695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).