1-[4-[(1S)-1-azidoethyl]phenyl]imidazole

C11H11N5 — CID 104853460

IUPAC1-[4-[(1S)-1-azidoethyl]phenyl]imidazole
SMILESC[C@H](N=[N+]=[N-])c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C11H11N5/c1-9(14-15-12)10-2-4-11(5-3-10)16-7-6-13-8-16/h2-9H,1H3/t9-/m0/s1
InChIKeyWYCSCFYHIOKAIQ-VIFPVBQESA-N
MW213.24 g/mol
LogP3.24
Rot. Bonds3

About 1-[4-[(1S)-1-azidoethyl]phenyl]imidazole

1-[4-[(1S)-1-azidoethyl]phenyl]imidazole (PubChem CID 104853460) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 1-[4-[(1S)-1-azidoethyl]phenyl]imidazole.

Molecular Properties

Compound Name1-[4-[(1S)-1-azidoethyl]phenyl]imidazole
PubChem CID104853460
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name1-[4-[(1S)-1-azidoethyl]phenyl]imidazole
SMILESC[C@H](N=[N+]=[N-])c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C11H11N5/c1-9(14-15-12)10-2-4-11(5-3-10)16-7-6-13-8-16/h2-9H,1H3/t9-/m0/s1
InChIKeyWYCSCFYHIOKAIQ-VIFPVBQESA-N
XLogP3.24
TPSA66.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[4-[1,2,2-tris(4-imidazol-1-ylphenyl)ethyl]phenyl]imidazole
CID 162718283
1-(4-imidazol-1-ylphenyl)ethanamine;dihydrochloride
CID 91654248
2-(4-imidazol-1-ylphenyl)propan-1-ol
CID 117290878
1-[4-(azidomethyl)phenyl]imidazole
CID 59667405
1-(4-butan-2-yloxyphenyl)imidazole
CID 91295981
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine
CID 113303609
1-[4-[(1R)-1-(sulfamoylamino)ethyl]phenyl]imidazole
CID 97088566
1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43200664
1-ethylsulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-2-amine
CID 115725692
1-(4-imidazol-1-ylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905169
2-hydroxy-2-(4-imidazol-1-ylphenyl)acetic acid
CID 117310612

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-1-azidoethyl]phenyl]imidazole?
The IUPAC name of 1-[4-[(1S)-1-azidoethyl]phenyl]imidazole (CID 104853460) is 1-[4-[(1S)-1-azidoethyl]phenyl]imidazole.
What is the SMILES notation for 1-[4-[(1S)-1-azidoethyl]phenyl]imidazole?
The canonical SMILES for 1-[4-[(1S)-1-azidoethyl]phenyl]imidazole is C[C@H](N=[N+]=[N-])c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-[4-[(1S)-1-azidoethyl]phenyl]imidazole?
The InChIKey is WYCSCFYHIOKAIQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11N5/c1-9(14-15-12)10-2-4-11(5-3-10)16-7-6-13-8-16/h2-9H,1H3/t9-/m0/s1.
What are the key properties of 1-[4-[(1S)-1-azidoethyl]phenyl]imidazole?
1-[4-[(1S)-1-azidoethyl]phenyl]imidazole has a molecular weight of 213.24 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S)-1-azidoethyl]phenyl]imidazole is sourced from PubChem (CID 104853460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).