4-tert-butyl-1-methyl-2H-imidazol-2-ide;uranium

C8H13N2U3- — CID 162459628

IUPAC4-tert-butyl-1-methyl-2H-imidazol-2-ide;uranium
SMILESCn1[c-]nc(C(C)(C)C)c1.[U].[U].[U]
InChIInChI=1S/C8H13N2.3U/c1-8(2,3)7-5-10(4)6-9-7;;;/h5H,1-4H3;;;/q-1;;;
InChIKeyCFMOCUGRXQQEPK-UHFFFAOYSA-N
MW851.29 g/mol
LogP1.52
Rot. Bonds

About 4-tert-butyl-1-methyl-2H-imidazol-2-ide;uranium

4-tert-butyl-1-methyl-2H-imidazol-2-ide;uranium (PubChem CID 162459628) has the molecular formula C8H13N2U3- and a molecular weight of 851.29 g/mol. Its IUPAC name is 4-tert-butyl-1-methyl-2H-imidazol-2-ide;uranium.

Molecular Properties

Compound Name4-tert-butyl-1-methyl-2H-imidazol-2-ide;uranium
PubChem CID162459628
Molecular FormulaC8H13N2U3-
Molecular Weight851.29 g/mol
Exact Mass851.26
IUPAC Name4-tert-butyl-1-methyl-2H-imidazol-2-ide;uranium
SMILESCn1[c-]nc(C(C)(C)C)c1.[U].[U].[U]
InChIInChI=1S/C8H13N2.3U/c1-8(2,3)7-5-10(4)6-9-7;;;/h5H,1-4H3;;;/q-1;;;
InChIKeyCFMOCUGRXQQEPK-UHFFFAOYSA-N
XLogP1.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500851.29
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-methyl-2H-imidazol-2-ide;uranium?
The IUPAC name of 4-tert-butyl-1-methyl-2H-imidazol-2-ide;uranium (CID 162459628) is 4-tert-butyl-1-methyl-2H-imidazol-2-ide;uranium.
What is the SMILES notation for 4-tert-butyl-1-methyl-2H-imidazol-2-ide;uranium?
The canonical SMILES for 4-tert-butyl-1-methyl-2H-imidazol-2-ide;uranium is Cn1[c-]nc(C(C)(C)C)c1.[U].[U].[U].
What is the InChIKey of 4-tert-butyl-1-methyl-2H-imidazol-2-ide;uranium?
The InChIKey is CFMOCUGRXQQEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N2.3U/c1-8(2,3)7-5-10(4)6-9-7;;;/h5H,1-4H3;;;/q-1;;;.
What are the key properties of 4-tert-butyl-1-methyl-2H-imidazol-2-ide;uranium?
4-tert-butyl-1-methyl-2H-imidazol-2-ide;uranium has a molecular weight of 851.29 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-methyl-2H-imidazol-2-ide;uranium is sourced from PubChem (CID 162459628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).