potassium tert-butyl N-[(2-methyl-1H-imidazol-5-yl)methyl]carbamate

C10H16KN3O2 — CID 156683626

IUPACpotassium tert-butyl N-[(2-methyl-1H-imidazol-5-yl)methyl]carbamate
SMILESCc1ncc([CH-]NC(=O)OC(C)(C)C)[nH]1.[K+]
InChIInChI=1S/C10H16N3O2.K/c1-7-11-5-8(13-7)6-12-9(14)15-10(2,3)4;/h5-6H,1-4H3,(H,11,13)(H,12,14);/q-1;+1
InChIKeyCLHGJHMVJSAAAI-UHFFFAOYSA-N
MW249.35 g/mol
LogP-1.24
Rot. Bonds2

About potassium tert-butyl N-[(2-methyl-1H-imidazol-5-yl)methyl]carbamate

potassium tert-butyl N-[(2-methyl-1H-imidazol-5-yl)methyl]carbamate (PubChem CID 156683626) has the molecular formula C10H16KN3O2 and a molecular weight of 249.35 g/mol. Its IUPAC name is potassium tert-butyl N-[(2-methyl-1H-imidazol-5-yl)methyl]carbamate.

Molecular Properties

Compound Namepotassium tert-butyl N-[(2-methyl-1H-imidazol-5-yl)methyl]carbamate
PubChem CID156683626
Molecular FormulaC10H16KN3O2
Molecular Weight249.35 g/mol
Exact Mass249.09
IUPAC Namepotassium tert-butyl N-[(2-methyl-1H-imidazol-5-yl)methyl]carbamate
SMILESCc1ncc([CH-]NC(=O)OC(C)(C)C)[nH]1.[K+]
InChIInChI=1S/C10H16N3O2.K/c1-7-11-5-8(13-7)6-12-9(14)15-10(2,3)4;/h5-6H,1-4H3,(H,11,13)(H,12,14);/q-1;+1
InChIKeyCLHGJHMVJSAAAI-UHFFFAOYSA-N
XLogP-1.24
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-yl]carbamate
CID 103740257
tert-butyl N-[4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]carbamate
CID 107239619
tert-butyl N-[3,4-dihydroxy-4-(2-methyl-1H-imidazol-5-yl)butyl]carbamate
CID 171884245
tert-butyl N-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]hexyl]carbamate
CID 103753203
tert-butyl N-(5-methyl-6-oxo-1H-pyrimidin-2-yl)carbamate
CID 91620202
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[2-[4-[(2-methyl-1H-imidazol-5-yl)methylamino]phenoxy]ethyl]carbamate
CID 113415120
tert-butyl N-(5-amino-1H-imidazol-2-yl)carbamate
CID 70162859
tert-butyl N-(5-bromo-2-oxo-1H-pyrimidin-6-yl)carbamate
CID 69088343
tert-butyl N-[(6-chloropyridine-3-carbonyl)amino]carbamate
CID 16654125
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930
tert-butyl N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]carbamate
CID 90379820

Frequently Asked Questions

What is the IUPAC name of potassium tert-butyl N-[(2-methyl-1H-imidazol-5-yl)methyl]carbamate?
The IUPAC name of potassium tert-butyl N-[(2-methyl-1H-imidazol-5-yl)methyl]carbamate (CID 156683626) is potassium tert-butyl N-[(2-methyl-1H-imidazol-5-yl)methyl]carbamate.
What is the SMILES notation for potassium tert-butyl N-[(2-methyl-1H-imidazol-5-yl)methyl]carbamate?
The canonical SMILES for potassium tert-butyl N-[(2-methyl-1H-imidazol-5-yl)methyl]carbamate is Cc1ncc([CH-]NC(=O)OC(C)(C)C)[nH]1.[K+].
What is the InChIKey of potassium tert-butyl N-[(2-methyl-1H-imidazol-5-yl)methyl]carbamate?
The InChIKey is CLHGJHMVJSAAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N3O2.K/c1-7-11-5-8(13-7)6-12-9(14)15-10(2,3)4;/h5-6H,1-4H3,(H,11,13)(H,12,14);/q-1;+1.
What are the key properties of potassium tert-butyl N-[(2-methyl-1H-imidazol-5-yl)methyl]carbamate?
potassium tert-butyl N-[(2-methyl-1H-imidazol-5-yl)methyl]carbamate has a molecular weight of 249.35 g/mol, XLogP of -1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium tert-butyl N-[(2-methyl-1H-imidazol-5-yl)methyl]carbamate is sourced from PubChem (CID 156683626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).