(1,3-ditert-butyl-2H-imidazol-2-yl)methanediol

C12H24N2O2 — CID 134964084

IUPAC(1,3-ditert-butyl-2H-imidazol-2-yl)methanediol
SMILESCC(C)(C)N1C=CN(C(C)(C)C)C1C(O)O
InChIInChI=1S/C12H24N2O2/c1-11(2,3)13-7-8-14(12(4,5)6)9(13)10(15)16/h7-10,15-16H,1-6H3
InChIKeyMTIRPFTZIYVRRP-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.31
Rot. Bonds1

About (1,3-ditert-butyl-2H-imidazol-2-yl)methanediol

(1,3-ditert-butyl-2H-imidazol-2-yl)methanediol (PubChem CID 134964084) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (1,3-ditert-butyl-2H-imidazol-2-yl)methanediol.

Molecular Properties

Compound Name(1,3-ditert-butyl-2H-imidazol-2-yl)methanediol
PubChem CID134964084
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(1,3-ditert-butyl-2H-imidazol-2-yl)methanediol
SMILESCC(C)(C)N1C=CN(C(C)(C)C)C1C(O)O
InChIInChI=1S/C12H24N2O2/c1-11(2,3)13-7-8-14(12(4,5)6)9(13)10(15)16/h7-10,15-16H,1-6H3
InChIKeyMTIRPFTZIYVRRP-UHFFFAOYSA-N
XLogP1.31
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1,3-Ditert-butyl-1,2-dihydroimidazol-1-ium-2-yl)-hydroxymethanolate
CID 138983580
[1,3-bis(2-methylpropyl)-2H-imidazol-2-yl]methanediol
CID 118636762
2-methyl-2-(3-propan-2-yl-2H-imidazol-1-yl)propan-1-ol
CID 134598891
2-methyl-2-(3-methyl-2H-imidazol-1-yl)propan-1-ol
CID 148793871
2-(1,2,2,3-Tetramethylimidazol-1-ium-1-yl)ethanol bromide
CID 171406266
2-(1,2,2,3-Tetramethylimidazol-1-ium-1-yl)ethanol
CID 171406267

Frequently Asked Questions

What is the IUPAC name of (1,3-ditert-butyl-2H-imidazol-2-yl)methanediol?
The IUPAC name of (1,3-ditert-butyl-2H-imidazol-2-yl)methanediol (CID 134964084) is (1,3-ditert-butyl-2H-imidazol-2-yl)methanediol.
What is the SMILES notation for (1,3-ditert-butyl-2H-imidazol-2-yl)methanediol?
The canonical SMILES for (1,3-ditert-butyl-2H-imidazol-2-yl)methanediol is CC(C)(C)N1C=CN(C(C)(C)C)C1C(O)O.
What is the InChIKey of (1,3-ditert-butyl-2H-imidazol-2-yl)methanediol?
The InChIKey is MTIRPFTZIYVRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(2,3)13-7-8-14(12(4,5)6)9(13)10(15)16/h7-10,15-16H,1-6H3.
What are the key properties of (1,3-ditert-butyl-2H-imidazol-2-yl)methanediol?
(1,3-ditert-butyl-2H-imidazol-2-yl)methanediol has a molecular weight of 228.34 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-ditert-butyl-2H-imidazol-2-yl)methanediol is sourced from PubChem (CID 134964084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).