5-(azidomethyl)-1-benzyl-4,5-dihydroimidazol-2-amine

C11H14N6 — CID 79505950

IUPAC5-(azidomethyl)-1-benzyl-4,5-dihydroimidazol-2-amine
SMILES[N-]=[N+]=NCC1CN=C(N)N1Cc1ccccc1
InChIInChI=1S/C11H14N6/c12-11-14-6-10(7-15-16-13)17(11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,12,14)
InChIKeyDCJJSRKTIVQRGS-UHFFFAOYSA-N
MW230.28 g/mol
LogP1.50
Rot. Bonds4

About 5-(azidomethyl)-1-benzyl-4,5-dihydroimidazol-2-amine

5-(azidomethyl)-1-benzyl-4,5-dihydroimidazol-2-amine (PubChem CID 79505950) has the molecular formula C11H14N6 and a molecular weight of 230.28 g/mol. Its IUPAC name is 5-(azidomethyl)-1-benzyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(azidomethyl)-1-benzyl-4,5-dihydroimidazol-2-amine
PubChem CID79505950
Molecular FormulaC11H14N6
Molecular Weight230.28 g/mol
Exact Mass230.13
IUPAC Name5-(azidomethyl)-1-benzyl-4,5-dihydroimidazol-2-amine
SMILES[N-]=[N+]=NCC1CN=C(N)N1Cc1ccccc1
InChIInChI=1S/C11H14N6/c12-11-14-6-10(7-15-16-13)17(11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,12,14)
InChIKeyDCJJSRKTIVQRGS-UHFFFAOYSA-N
XLogP1.50
TPSA90.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 51.50
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 5-(azidomethyl)-1-benzyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(azidomethyl)-1-benzyl-4,5-dihydroimidazol-2-amine (CID 79505950) is 5-(azidomethyl)-1-benzyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(azidomethyl)-1-benzyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(azidomethyl)-1-benzyl-4,5-dihydroimidazol-2-amine is [N-]=[N+]=NCC1CN=C(N)N1Cc1ccccc1.
What is the InChIKey of 5-(azidomethyl)-1-benzyl-4,5-dihydroimidazol-2-amine?
The InChIKey is DCJJSRKTIVQRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c12-11-14-6-10(7-15-16-13)17(11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,12,14).
What are the key properties of 5-(azidomethyl)-1-benzyl-4,5-dihydroimidazol-2-amine?
5-(azidomethyl)-1-benzyl-4,5-dihydroimidazol-2-amine has a molecular weight of 230.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-1-benzyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79505950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).