(2-tert-butyl-1H-imidazol-5-yl)-methoxymethanol

C9H16N2O2 — CID 154965158

IUPAC(2-tert-butyl-1H-imidazol-5-yl)-methoxymethanol
SMILESCOC(O)c1cnc(C(C)(C)C)[nH]1
InChIInChI=1S/C9H16N2O2/c1-9(2,3)8-10-5-6(11-8)7(12)13-4/h5,7,12H,1-4H3,(H,10,11)
InChIKeyBITFSJNEMSKXAG-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.34
Rot. Bonds2

About (2-tert-butyl-1H-imidazol-5-yl)-methoxymethanol

(2-tert-butyl-1H-imidazol-5-yl)-methoxymethanol (PubChem CID 154965158) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (2-tert-butyl-1H-imidazol-5-yl)-methoxymethanol.

Molecular Properties

Compound Name(2-tert-butyl-1H-imidazol-5-yl)-methoxymethanol
PubChem CID154965158
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(2-tert-butyl-1H-imidazol-5-yl)-methoxymethanol
SMILESCOC(O)c1cnc(C(C)(C)C)[nH]1
InChIInChI=1S/C9H16N2O2/c1-9(2,3)8-10-5-6(11-8)7(12)13-4/h5,7,12H,1-4H3,(H,10,11)
InChIKeyBITFSJNEMSKXAG-UHFFFAOYSA-N
XLogP1.34
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2-tert-butyl-1H-imidazol-5-yl)-methoxymethanol 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 (2-tert-butyl-1H-imidazol-5-yl)-methoxymethanol?
The IUPAC name of (2-tert-butyl-1H-imidazol-5-yl)-methoxymethanol (CID 154965158) is (2-tert-butyl-1H-imidazol-5-yl)-methoxymethanol.
What is the SMILES notation for (2-tert-butyl-1H-imidazol-5-yl)-methoxymethanol?
The canonical SMILES for (2-tert-butyl-1H-imidazol-5-yl)-methoxymethanol is COC(O)c1cnc(C(C)(C)C)[nH]1.
What is the InChIKey of (2-tert-butyl-1H-imidazol-5-yl)-methoxymethanol?
The InChIKey is BITFSJNEMSKXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-9(2,3)8-10-5-6(11-8)7(12)13-4/h5,7,12H,1-4H3,(H,10,11).
What are the key properties of (2-tert-butyl-1H-imidazol-5-yl)-methoxymethanol?
(2-tert-butyl-1H-imidazol-5-yl)-methoxymethanol has a molecular weight of 184.24 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1H-imidazol-5-yl)-methoxymethanol is sourced from PubChem (CID 154965158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).