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

C8H14N2O — CID 22324700

IUPAC1-imidazol-1-yl-3-methylbutan-2-ol
SMILESCC(C)C(O)Cn1ccnc1
InChIInChI=1S/C8H14N2O/c1-7(2)8(11)5-10-4-3-9-6-10/h3-4,6-8,11H,5H2,1-2H3
InChIKeyHZSRTDMOBFCHHV-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.90
Rot. Bonds3

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

1-imidazol-1-yl-3-methylbutan-2-ol (PubChem CID 22324700) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-imidazol-1-yl-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-imidazol-1-yl-3-methylbutan-2-ol
PubChem CID22324700
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-imidazol-1-yl-3-methylbutan-2-ol
SMILESCC(C)C(O)Cn1ccnc1
InChIInChI=1S/C8H14N2O/c1-7(2)8(11)5-10-4-3-9-6-10/h3-4,6-8,11H,5H2,1-2H3
InChIKeyHZSRTDMOBFCHHV-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethyl-3-methylbutyl)imidazole
CID 170019524
1-(2-methylbutyl)imidazole
CID 59161437
1-imidazol-1-yl-3-(propan-2-ylamino)propan-2-ol
CID 43165900
1-(2,3-dimethylpentyl)imidazole
CID 91321632
2-imidazol-1-yl-1-(2,3,4,5,6-pentamethylphenyl)ethanol
CID 3057018
1-(2,2-dimethoxyethyl)imidazole
CID 12922722
[(2R)-1-imidazol-1-ylpropan-2-yl] acetate
CID 124636711
3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]-2-methylbutan-2-ol
CID 65337512
2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
CID 43695409
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
1-imidazol-1-yl-2,3-dimethylbutan-2-ol
CID 114447498
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-3-methylbutan-2-ol?
The IUPAC name of 1-imidazol-1-yl-3-methylbutan-2-ol (CID 22324700) is 1-imidazol-1-yl-3-methylbutan-2-ol.
What is the SMILES notation for 1-imidazol-1-yl-3-methylbutan-2-ol?
The canonical SMILES for 1-imidazol-1-yl-3-methylbutan-2-ol is CC(C)C(O)Cn1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-3-methylbutan-2-ol?
The InChIKey is HZSRTDMOBFCHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(2)8(11)5-10-4-3-9-6-10/h3-4,6-8,11H,5H2,1-2H3.
What are the key properties of 1-imidazol-1-yl-3-methylbutan-2-ol?
1-imidazol-1-yl-3-methylbutan-2-ol has a molecular weight of 154.21 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-3-methylbutan-2-ol is sourced from PubChem (CID 22324700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).