2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide

C12H20N6O — CID 21224553

IUPAC2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide
SMILESCc1ncn(CC(=O)NCC(C)(C)C)c1CN=[N+]=[N-]
InChIInChI=1S/C12H20N6O/c1-9-10(5-16-17-13)18(8-15-9)6-11(19)14-7-12(2,3)4/h8H,5-7H2,1-4H3,(H,14,19)
InChIKeySYMCOBHJJSMCFT-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.16
Rot. Bonds5

About 2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide

2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide (PubChem CID 21224553) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide.

Molecular Properties

Compound Name2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide
PubChem CID21224553
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide
SMILESCc1ncn(CC(=O)NCC(C)(C)C)c1CN=[N+]=[N-]
InChIInChI=1S/C12H20N6O/c1-9-10(5-16-17-13)18(8-15-9)6-11(19)14-7-12(2,3)4/h8H,5-7H2,1-4H3,(H,14,19)
InChIKeySYMCOBHJJSMCFT-UHFFFAOYSA-N
XLogP2.16
TPSA95.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide?
The IUPAC name of 2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide (CID 21224553) is 2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide.
What is the SMILES notation for 2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide?
The canonical SMILES for 2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide is Cc1ncn(CC(=O)NCC(C)(C)C)c1CN=[N+]=[N-].
What is the InChIKey of 2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide?
The InChIKey is SYMCOBHJJSMCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-9-10(5-16-17-13)18(8-15-9)6-11(19)14-7-12(2,3)4/h8H,5-7H2,1-4H3,(H,14,19).
What are the key properties of 2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide?
2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide has a molecular weight of 264.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-(2,2-dimethylpropyl)acetamide is sourced from PubChem (CID 21224553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).