2-(1H-imidazol-2-yl)-2-methylpropan-1-ol

C7H12N2O — CID 6455425

IUPAC2-(1H-imidazol-2-yl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ncc[nH]1
InChIInChI=1S/C7H12N2O/c1-7(2,5-10)6-8-3-4-9-6/h3-4,10H,5H2,1-2H3,(H,8,9)
InChIKeyIISXZANEXOGTTM-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.68
Rot. Bonds2

About 2-(1H-imidazol-2-yl)-2-methylpropan-1-ol

2-(1H-imidazol-2-yl)-2-methylpropan-1-ol (PubChem CID 6455425) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-2-methylpropan-1-ol
PubChem CID6455425
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-(1H-imidazol-2-yl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ncc[nH]1
InChIInChI=1S/C7H12N2O/c1-7(2,5-10)6-8-3-4-9-6/h3-4,10H,5H2,1-2H3,(H,8,9)
InChIKeyIISXZANEXOGTTM-UHFFFAOYSA-N
XLogP0.68
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-(1H-imidazol-2-yl)-2-methylpropan-1-ol (CID 6455425) is 2-(1H-imidazol-2-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(1H-imidazol-2-yl)-2-methylpropan-1-ol is CC(C)(CO)c1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-2-methylpropan-1-ol?
The InChIKey is IISXZANEXOGTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-7(2,5-10)6-8-3-4-9-6/h3-4,10H,5H2,1-2H3,(H,8,9).
What are the key properties of 2-(1H-imidazol-2-yl)-2-methylpropan-1-ol?
2-(1H-imidazol-2-yl)-2-methylpropan-1-ol has a molecular weight of 140.19 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 6455425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).