2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide

C11H18N6O — CID 21224560

IUPAC2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide
SMILESCc1ncn(CC(=O)NC(C)(C)C)c1CN=[N+]=[N-]
InChIInChI=1S/C11H18N6O/c1-8-9(5-14-16-12)17(7-13-8)6-10(18)15-11(2,3)4/h7H,5-6H2,1-4H3,(H,15,18)
InChIKeyKWWXIQQBZUXKGO-UHFFFAOYSA-N
MW250.31 g/mol
LogP1.92
Rot. Bonds4

About 2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide

2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide (PubChem CID 21224560) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide
PubChem CID21224560
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide
SMILESCc1ncn(CC(=O)NC(C)(C)C)c1CN=[N+]=[N-]
InChIInChI=1S/C11H18N6O/c1-8-9(5-14-16-12)17(7-13-8)6-10(18)15-11(2,3)4/h7H,5-6H2,1-4H3,(H,15,18)
InChIKeyKWWXIQQBZUXKGO-UHFFFAOYSA-N
XLogP1.92
TPSA95.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 51.92
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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Related Compounds

N-methyl-2-{4-[(4-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl}acetamide
CID 74248778
2-[5-(Aminomethyl)-4-methylimidazol-1-yl]-4,4,4-trifluorobutanamide
CID 21224533
2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53685528
N,N-dimethyl-2-{methyl[(4-methyl-1H-imidazol-5-yl)methyl]amino}propanamide
CID 50982626
2-(4,5-dimethylimidazol-1-yl)-N,N-dipropylacetamide
CID 19964980
1-t-Butylaminocarbonylmethyl-4-methyl-5-aminomethylimidazole
CID 21224503
1-t-Butylmethylaminocarbonylmethyl-4-methyl-5-aminomethylimidazole
CID 21224543
1-t-Butylmethylaminocarbonylmethyl-4-methyl-5-azidomethylimidazole
CID 21224553
N-[2-(4,5-dimethylimidazol-1-yl)acetyl]propanamide
CID 23356763
4-(4,5-dimethylimidazol-1-yl)-N-propylbutanamide
CID 53688803
3-(4,5-dimethylimidazol-1-yl)-N-propan-2-ylpropanamide
CID 53700598
2-(4,5-dimethylimidazol-1-yl)-N-propan-2-ylacetamide
CID 53776483

Frequently Asked Questions

What is the IUPAC name of 2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide?
The IUPAC name of 2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide (CID 21224560) is 2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide.
What is the SMILES notation for 2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide?
The canonical SMILES for 2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide is Cc1ncn(CC(=O)NC(C)(C)C)c1CN=[N+]=[N-].
What is the InChIKey of 2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide?
The InChIKey is KWWXIQQBZUXKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-8-9(5-14-16-12)17(7-13-8)6-10(18)15-11(2,3)4/h7H,5-6H2,1-4H3,(H,15,18).
What are the key properties of 2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide?
2-[5-(azidomethyl)-4-methylimidazol-1-yl]-N-tert-butylacetamide has a molecular weight of 250.31 g/mol, XLogP of 1.92, 4 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-tert-butylacetamide is sourced from PubChem (CID 21224560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).