4-methyl-4-(1-methylimidazol-2-yl)pentan-2-ol

C10H18N2O — CID 64718314

IUPAC4-methyl-4-(1-methylimidazol-2-yl)pentan-2-ol
SMILESCC(O)CC(C)(C)c1nccn1C
InChIInChI=1S/C10H18N2O/c1-8(13)7-10(2,3)9-11-5-6-12(9)4/h5-6,8,13H,7H2,1-4H3
InChIKeyYZLASPNOLFJJFT-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.47
Rot. Bonds3

About 4-methyl-4-(1-methylimidazol-2-yl)pentan-2-ol

4-methyl-4-(1-methylimidazol-2-yl)pentan-2-ol (PubChem CID 64718314) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-methyl-4-(1-methylimidazol-2-yl)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-4-(1-methylimidazol-2-yl)pentan-2-ol
PubChem CID64718314
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name4-methyl-4-(1-methylimidazol-2-yl)pentan-2-ol
SMILESCC(O)CC(C)(C)c1nccn1C
InChIInChI=1S/C10H18N2O/c1-8(13)7-10(2,3)9-11-5-6-12(9)4/h5-6,8,13H,7H2,1-4H3
InChIKeyYZLASPNOLFJJFT-UHFFFAOYSA-N
XLogP1.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 131183317
3,3-dimethyl-2-(1-methylimidazol-2-yl)butan-2-ol
CID 14531586
N-tert-butyl-3-methyl-3-(1-methylimidazol-2-yl)butan-1-amine
CID 81023446
2,8-bis(1-methylimidazol-2-yl)nonane-2,8-diol
CID 14040391
4-(2,3-dimethylimidazol-4-yl)-4-methylpentan-2-ol
CID 130519099
4-(1-methylimidazol-2-yl)heptan-4-ol
CID 114865853
2-(1-methylimidazol-2-yl)heptan-2-ol
CID 80558802
tris(1,2-dimethylimidazole);trihydroxy(methyl)phosphanium
CID 173068105
2,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-ol
CID 115799884
[4-[hydroxy-bis(1-methylimidazol-2-yl)methyl]phenyl]-bis(1-methylimidazol-2-yl)methanol
CID 101095926
methane;1-(1-methylimidazol-2-yl)ethanol
CID 174578222
4,4-dimethyl-1-[1-(1-methylimidazol-2-yl)ethylamino]pentan-2-ol
CID 103913976

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(1-methylimidazol-2-yl)pentan-2-ol?
The IUPAC name of 4-methyl-4-(1-methylimidazol-2-yl)pentan-2-ol (CID 64718314) is 4-methyl-4-(1-methylimidazol-2-yl)pentan-2-ol.
What is the SMILES notation for 4-methyl-4-(1-methylimidazol-2-yl)pentan-2-ol?
The canonical SMILES for 4-methyl-4-(1-methylimidazol-2-yl)pentan-2-ol is CC(O)CC(C)(C)c1nccn1C.
What is the InChIKey of 4-methyl-4-(1-methylimidazol-2-yl)pentan-2-ol?
The InChIKey is YZLASPNOLFJJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(13)7-10(2,3)9-11-5-6-12(9)4/h5-6,8,13H,7H2,1-4H3.
What are the key properties of 4-methyl-4-(1-methylimidazol-2-yl)pentan-2-ol?
4-methyl-4-(1-methylimidazol-2-yl)pentan-2-ol has a molecular weight of 182.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(1-methylimidazol-2-yl)pentan-2-ol is sourced from PubChem (CID 64718314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).