3-imidazol-1-yl-2-methylbutan-1-ol

C8H14N2O — CID 175456852

IUPAC3-imidazol-1-yl-2-methylbutan-1-ol
SMILESCC(CO)C(C)n1ccnc1
InChIInChI=1S/C8H14N2O/c1-7(5-11)8(2)10-4-3-9-6-10/h3-4,6-8,11H,5H2,1-2H3
InChIKeyIYTADCCUJCVVDW-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.07
Rot. Bonds3

About 3-imidazol-1-yl-2-methylbutan-1-ol

3-imidazol-1-yl-2-methylbutan-1-ol (PubChem CID 175456852) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-imidazol-1-yl-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-imidazol-1-yl-2-methylbutan-1-ol
PubChem CID175456852
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-imidazol-1-yl-2-methylbutan-1-ol
SMILESCC(CO)C(C)n1ccnc1
InChIInChI=1S/C8H14N2O/c1-7(5-11)8(2)10-4-3-9-6-10/h3-4,6-8,11H,5H2,1-2H3
InChIKeyIYTADCCUJCVVDW-UHFFFAOYSA-N
XLogP1.07
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-imidazol-1-ylethanol
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1-(1-chloroethyl)imidazole
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ethane;methane;1-propan-2-ylimidazole
CID 159501500
carbonic acid;1-propan-2-ylimidazole
CID 175084414
(3R)-3-imidazol-1-ylbutanoic acid
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2-imidazol-1-ylpropanoic acid
CID 16788764
3-imidazol-1-ylhexan-2-ol
CID 174552394
1-(4,4-dimethylpentan-2-yl)imidazole
CID 118984043
1-imidazol-1-yl-N,N-dimethylethanamine
CID 123720804
(2S)-N-(1-hydroxypropan-2-yl)-2-imidazol-1-yl-4-methylpentanamide
CID 141169436

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-2-methylbutan-1-ol?
The IUPAC name of 3-imidazol-1-yl-2-methylbutan-1-ol (CID 175456852) is 3-imidazol-1-yl-2-methylbutan-1-ol.
What is the SMILES notation for 3-imidazol-1-yl-2-methylbutan-1-ol?
The canonical SMILES for 3-imidazol-1-yl-2-methylbutan-1-ol is CC(CO)C(C)n1ccnc1.
What is the InChIKey of 3-imidazol-1-yl-2-methylbutan-1-ol?
The InChIKey is IYTADCCUJCVVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(5-11)8(2)10-4-3-9-6-10/h3-4,6-8,11H,5H2,1-2H3.
What are the key properties of 3-imidazol-1-yl-2-methylbutan-1-ol?
3-imidazol-1-yl-2-methylbutan-1-ol has a molecular weight of 154.21 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-2-methylbutan-1-ol is sourced from PubChem (CID 175456852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).