1-methyl-4-propan-2-yl-2H-imidazol-2-ide;rhenium

C7H11N2Re- — CID 147935404

IUPAC1-methyl-4-propan-2-yl-2H-imidazol-2-ide;rhenium
SMILESCC(C)c1cn(C)[c-]n1.[Re]
InChIInChI=1S/C7H11N2.Re/c1-6(2)7-4-9(3)5-8-7;/h4,6H,1-3H3;/q-1;
InChIKeyVBBCAXYQRUHHFR-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.34
Rot. Bonds1

About 1-methyl-4-propan-2-yl-2H-imidazol-2-ide;rhenium

1-methyl-4-propan-2-yl-2H-imidazol-2-ide;rhenium (PubChem CID 147935404) has the molecular formula C7H11N2Re- and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-methyl-4-propan-2-yl-2H-imidazol-2-ide;rhenium.

Molecular Properties

Compound Name1-methyl-4-propan-2-yl-2H-imidazol-2-ide;rhenium
PubChem CID147935404
Molecular FormulaC7H11N2Re-
Molecular Weight309.39 g/mol
Exact Mass310.05
IUPAC Name1-methyl-4-propan-2-yl-2H-imidazol-2-ide;rhenium
SMILESCC(C)c1cn(C)[c-]n1.[Re]
InChIInChI=1S/C7H11N2.Re/c1-6(2)7-4-9(3)5-8-7;/h4,6H,1-3H3;/q-1;
InChIKeyVBBCAXYQRUHHFR-UHFFFAOYSA-N
XLogP1.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.34
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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Related Compounds

4-tert-butyl-1-methyl-2H-imidazol-2-ide;rhenium
CID 57708243
5-tert-butyl-1-methyl-2H-imidazol-2-ide;rhenium
CID 57708340
5-ethyl-1-methyl-2H-imidazol-2-ide;yttrium
CID 60087204
4-Ethyl-1,1-dimethylimidazol-1-ium
CID 149038071
1-methyl-5-propan-2-yl-2H-imidazol-2-ide;rhenium
CID 149076146
1,1,4-Trimethylimidazol-1-ium
CID 149481380
1,4-dimethyl-2H-imidazol-2-ide;rhenium
CID 153264985
4-tert-butyl-1-methyl-2H-imidazol-2-ide;uranium
CID 162459628
1-methyl-4-[(2R)-3-methylbutan-2-yl]-2H-imidazol-2-ide;rhenium
CID 164156737
4-Propan-2-yl-1-propan-2-ylideneimidazol-1-ium
CID 170251945
4-ethyl-1-methyl-2H-imidazol-2-ide;yttrium
CID 172584408
1-methyl-4-propan-2-yl-2H-imidazol-2-ide;ruthenium(1+)
CID 176952615

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-yl-2H-imidazol-2-ide;rhenium?
The IUPAC name of 1-methyl-4-propan-2-yl-2H-imidazol-2-ide;rhenium (CID 147935404) is 1-methyl-4-propan-2-yl-2H-imidazol-2-ide;rhenium.
What is the SMILES notation for 1-methyl-4-propan-2-yl-2H-imidazol-2-ide;rhenium?
The canonical SMILES for 1-methyl-4-propan-2-yl-2H-imidazol-2-ide;rhenium is CC(C)c1cn(C)[c-]n1.[Re].
What is the InChIKey of 1-methyl-4-propan-2-yl-2H-imidazol-2-ide;rhenium?
The InChIKey is VBBCAXYQRUHHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2.Re/c1-6(2)7-4-9(3)5-8-7;/h4,6H,1-3H3;/q-1;.
What are the key properties of 1-methyl-4-propan-2-yl-2H-imidazol-2-ide;rhenium?
1-methyl-4-propan-2-yl-2H-imidazol-2-ide;rhenium has a molecular weight of 309.39 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-yl-2H-imidazol-2-ide;rhenium is sourced from PubChem (CID 147935404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).