3,3-dimethyl-2-(1-methylimidazol-2-yl)butan-2-ol

C10H18N2O — CID 14531586

IUPAC3,3-dimethyl-2-(1-methylimidazol-2-yl)butan-2-ol
SMILESCn1ccnc1C(C)(O)C(C)(C)C
InChIInChI=1S/C10H18N2O/c1-9(2,3)10(4,13)8-11-6-7-12(8)5/h6-7,13H,1-5H3
InChIKeyGVERVNNGXUGVED-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.67
Rot. Bonds1

About 3,3-dimethyl-2-(1-methylimidazol-2-yl)butan-2-ol

3,3-dimethyl-2-(1-methylimidazol-2-yl)butan-2-ol (PubChem CID 14531586) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3,3-dimethyl-2-(1-methylimidazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-2-(1-methylimidazol-2-yl)butan-2-ol
PubChem CID14531586
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3,3-dimethyl-2-(1-methylimidazol-2-yl)butan-2-ol
SMILESCn1ccnc1C(C)(O)C(C)(C)C
InChIInChI=1S/C10H18N2O/c1-9(2,3)10(4,13)8-11-6-7-12(8)5/h6-7,13H,1-5H3
InChIKeyGVERVNNGXUGVED-UHFFFAOYSA-N
XLogP1.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[hydroxy-bis(1-methylimidazol-2-yl)methyl]phenyl]-bis(1-methylimidazol-2-yl)methanol
CID 101095926
2,8-bis(1-methylimidazol-2-yl)nonane-2,8-diol
CID 14040391
4-(1-methylimidazol-2-yl)heptan-4-ol
CID 114865853
2-(1-methylimidazol-2-yl)heptan-2-ol
CID 80558802
1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)ethanol
CID 63975146
4-methyl-4-(1-methylimidazol-2-yl)pentan-2-ol
CID 64718314
(3,5-dimethoxyphenyl)-bis(1-methylimidazol-2-yl)methanol;platinum(2+);dichloride
CID 11261863
1-(1-methylimidazol-2-yl)-1-pyrrolidin-3-ylethanol
CID 130787693
2,2,2-tris(1-methylimidazol-2-yl)acetaldehyde
CID 71676654
1,1-bis(1-methylimidazol-2-yl)-3,3-diphenylprop-2-en-1-ol
CID 171986160
(3S)-4,4,4-trifluoro-3-hydroxy-2-methylidene-3-(1-methylimidazol-2-yl)butanenitrile
CID 40797987
N-tert-butyl-3-methyl-3-(1-methylimidazol-2-yl)butan-1-amine
CID 81023446

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(1-methylimidazol-2-yl)butan-2-ol?
The IUPAC name of 3,3-dimethyl-2-(1-methylimidazol-2-yl)butan-2-ol (CID 14531586) is 3,3-dimethyl-2-(1-methylimidazol-2-yl)butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-2-(1-methylimidazol-2-yl)butan-2-ol?
The canonical SMILES for 3,3-dimethyl-2-(1-methylimidazol-2-yl)butan-2-ol is Cn1ccnc1C(C)(O)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-(1-methylimidazol-2-yl)butan-2-ol?
The InChIKey is GVERVNNGXUGVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(2,3)10(4,13)8-11-6-7-12(8)5/h6-7,13H,1-5H3.
What are the key properties of 3,3-dimethyl-2-(1-methylimidazol-2-yl)butan-2-ol?
3,3-dimethyl-2-(1-methylimidazol-2-yl)butan-2-ol has a molecular weight of 182.27 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(1-methylimidazol-2-yl)butan-2-ol is sourced from PubChem (CID 14531586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).