1-(1H-imidazol-2-yl)-2,2-dimethylpropan-1-ol

C8H14N2O — CID 45091832

IUPAC1-(1H-imidazol-2-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1ncc[nH]1
InChIInChI=1S/C8H14N2O/c1-8(2,3)6(11)7-9-4-5-10-7/h4-6,11H,1-3H3,(H,9,10)
InChIKeyPXIRDYSRNUVMRP-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.49
Rot. Bonds1

About 1-(1H-imidazol-2-yl)-2,2-dimethylpropan-1-ol

1-(1H-imidazol-2-yl)-2,2-dimethylpropan-1-ol (PubChem CID 45091832) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-2,2-dimethylpropan-1-ol
PubChem CID45091832
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-(1H-imidazol-2-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1ncc[nH]1
InChIInChI=1S/C8H14N2O/c1-8(2,3)6(11)7-9-4-5-10-7/h4-6,11H,1-3H3,(H,9,10)
InChIKeyPXIRDYSRNUVMRP-UHFFFAOYSA-N
XLogP1.49
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1H-imidazol-2-yl)-2,2-dimethylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(1H-imidazol-2-yl)-2,2-dimethylpropan-1-ol (CID 45091832) is 1-(1H-imidazol-2-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(1H-imidazol-2-yl)-2,2-dimethylpropan-1-ol is CC(C)(C)C(O)c1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is PXIRDYSRNUVMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-8(2,3)6(11)7-9-4-5-10-7/h4-6,11H,1-3H3,(H,9,10).
What are the key properties of 1-(1H-imidazol-2-yl)-2,2-dimethylpropan-1-ol?
1-(1H-imidazol-2-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 154.21 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 45091832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).