tert-butyl N-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]carbamate

C12H21N3O3 — CID 178071462

IUPACtert-butyl N-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]carbamate
SMILESCn1cc(NC(=O)OC(C)(C)C)nc1C(C)(C)O
InChIInChI=1S/C12H21N3O3/c1-11(2,3)18-10(16)14-8-7-15(6)9(13-8)12(4,5)17/h7,17H,1-6H3,(H,14,16)
InChIKeyXSPAKUDHTHMQIR-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.99
Rot. Bonds2

About tert-butyl N-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]carbamate

tert-butyl N-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]carbamate (PubChem CID 178071462) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is tert-butyl N-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]carbamate
PubChem CID178071462
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Nametert-butyl N-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]carbamate
SMILESCn1cc(NC(=O)OC(C)(C)C)nc1C(C)(C)O
InChIInChI=1S/C12H21N3O3/c1-11(2,3)18-10(16)14-8-7-15(6)9(13-8)12(4,5)17/h7,17H,1-6H3,(H,14,16)
InChIKeyXSPAKUDHTHMQIR-UHFFFAOYSA-N
XLogP1.99
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[(1Z)-buta-1,3-dienyl]-1-methylimidazol-4-yl]carbamate
CID 143109523
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-(2-ethenyl-1-ethylimidazol-4-yl)carbamate
CID 143109510
tert-butyl N-(5-amino-1-methylpyrazol-3-yl)carbamate
CID 146680472
tert-butyl N-(6-chloro-2-methoxypyrimidin-4-yl)carbamate
CID 144985934
tert-butyl N-[2,4-bis(methylsulfanyl)imidazo[1,2-a][1,3,5]triazin-7-yl]carbamate
CID 68593696
tert-butyl N-[1-methyl-5-[[1-methyl-2-[3-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]propylcarbamoyl]imidazol-4-yl]carbamoyl]pyrrol-3-yl]carbamate
CID 58945343
tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate
CID 178156276
4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-2-carboxylic acid
CID 175654041
tert-butyl N-(6-chloropyridazin-3-yl)carbamate
CID 57415766
1-methyl-4-[3-[[1-methyl-4-[[1-methyl-4-[3-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]propanoylamino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]propanoylamino]imidazole-2-carboxylic acid
CID 166705177
tert-butyl N-(4-formyl-6-methoxy-2-pyridinyl)carbamate
CID 18506791

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]carbamate (CID 178071462) is tert-butyl N-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]carbamate is Cn1cc(NC(=O)OC(C)(C)C)nc1C(C)(C)O.
What is the InChIKey of tert-butyl N-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]carbamate?
The InChIKey is XSPAKUDHTHMQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-11(2,3)18-10(16)14-8-7-15(6)9(13-8)12(4,5)17/h7,17H,1-6H3,(H,14,16).
What are the key properties of tert-butyl N-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]carbamate?
tert-butyl N-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]carbamate has a molecular weight of 255.32 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]carbamate is sourced from PubChem (CID 178071462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).