1-(2-azidoethyl)-2-(1-methylimidazol-2-yl)imidazole

C9H11N7 — CID 162702986

IUPAC1-(2-azidoethyl)-2-(1-methylimidazol-2-yl)imidazole
SMILESCn1ccnc1-c1nccn1CCN=[N+]=[N-]
InChIInChI=1S/C9H11N7/c1-15-5-2-11-8(15)9-12-3-6-16(9)7-4-13-14-10/h2-3,5-6H,4,7H2,1H3
InChIKeyMAYLBBJIVKYTME-UHFFFAOYSA-N
MW217.24 g/mol
LogP1.59
Rot. Bonds4

About 1-(2-azidoethyl)-2-(1-methylimidazol-2-yl)imidazole

1-(2-azidoethyl)-2-(1-methylimidazol-2-yl)imidazole (PubChem CID 162702986) has the molecular formula C9H11N7 and a molecular weight of 217.24 g/mol. Its IUPAC name is 1-(2-azidoethyl)-2-(1-methylimidazol-2-yl)imidazole.

Molecular Properties

Compound Name1-(2-azidoethyl)-2-(1-methylimidazol-2-yl)imidazole
PubChem CID162702986
Molecular FormulaC9H11N7
Molecular Weight217.24 g/mol
Exact Mass217.11
IUPAC Name1-(2-azidoethyl)-2-(1-methylimidazol-2-yl)imidazole
SMILESCn1ccnc1-c1nccn1CCN=[N+]=[N-]
InChIInChI=1S/C9H11N7/c1-15-5-2-11-8(15)9-12-3-6-16(9)7-4-13-14-10/h2-3,5-6H,4,7H2,1H3
InChIKeyMAYLBBJIVKYTME-UHFFFAOYSA-N
XLogP1.59
TPSA84.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-methyl-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]imidazole
CID 56889384
1-(2-azidoethyl)-2-(ethoxymethyl)imidazole
CID 90813070
methane;6-[2-(1-methylimidazol-2-yl)imidazol-1-yl]hexane-1-thiol;tris(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium
CID 163476886
2-(3-azidoprop-1-enyl)-1-methylimidazole
CID 169461225
1-methyl-2-[1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]imidazol-2-yl]imidazole
CID 146483333
methane;tris(1-methyl-2-(1-methylimidazol-2-yl)imidazole);1-methyl-2-[1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]imidazol-2-yl]imidazole;osmium
CID 163872994
carbon monoxide;ethanol;1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(rhodium);dichloride
CID 139144797
1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925
2-[2-[1-(2-phosphonoethyl)imidazol-2-yl]imidazol-1-yl]ethylphosphonic acid
CID 58175885
1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole
CID 132575754
1-(2-azidoethyl)-4-methoxypyrimidin-2-one
CID 86202764
5-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 165417829

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethyl)-2-(1-methylimidazol-2-yl)imidazole?
The IUPAC name of 1-(2-azidoethyl)-2-(1-methylimidazol-2-yl)imidazole (CID 162702986) is 1-(2-azidoethyl)-2-(1-methylimidazol-2-yl)imidazole.
What is the SMILES notation for 1-(2-azidoethyl)-2-(1-methylimidazol-2-yl)imidazole?
The canonical SMILES for 1-(2-azidoethyl)-2-(1-methylimidazol-2-yl)imidazole is Cn1ccnc1-c1nccn1CCN=[N+]=[N-].
What is the InChIKey of 1-(2-azidoethyl)-2-(1-methylimidazol-2-yl)imidazole?
The InChIKey is MAYLBBJIVKYTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N7/c1-15-5-2-11-8(15)9-12-3-6-16(9)7-4-13-14-10/h2-3,5-6H,4,7H2,1H3.
What are the key properties of 1-(2-azidoethyl)-2-(1-methylimidazol-2-yl)imidazole?
1-(2-azidoethyl)-2-(1-methylimidazol-2-yl)imidazole has a molecular weight of 217.24 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethyl)-2-(1-methylimidazol-2-yl)imidazole is sourced from PubChem (CID 162702986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).