1-[2-azido-2-deuterio-2-(2,4-dichlorophenyl)ethyl]imidazole

C11H9Cl2N5 — CID 154613010

IUPAC1-[2-azido-2-deuterio-2-(2,4-dichlorophenyl)ethyl]imidazole
SMILES[2H]C(Cn1ccnc1)(N=[N+]=[N-])c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H9Cl2N5/c12-8-1-2-9(10(13)5-8)11(16-17-14)6-18-4-3-15-7-18/h1-5,7,11H,6H2/i11D
InChIKeyZYOZOFLDVWJMLO-WORMITQPSA-N
MW283.14 g/mol
LogP4.24
Rot. Bonds4

About 1-[2-azido-2-deuterio-2-(2,4-dichlorophenyl)ethyl]imidazole

1-[2-azido-2-deuterio-2-(2,4-dichlorophenyl)ethyl]imidazole (PubChem CID 154613010) has the molecular formula C11H9Cl2N5 and a molecular weight of 283.14 g/mol. Its IUPAC name is 1-[2-azido-2-deuterio-2-(2,4-dichlorophenyl)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-azido-2-deuterio-2-(2,4-dichlorophenyl)ethyl]imidazole
PubChem CID154613010
Molecular FormulaC11H9Cl2N5
Molecular Weight283.14 g/mol
Exact Mass282.03
IUPAC Name1-[2-azido-2-deuterio-2-(2,4-dichlorophenyl)ethyl]imidazole
SMILES[2H]C(Cn1ccnc1)(N=[N+]=[N-])c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H9Cl2N5/c12-8-1-2-9(10(13)5-8)11(16-17-14)6-18-4-3-15-7-18/h1-5,7,11H,6H2/i11D
InChIKeyZYOZOFLDVWJMLO-WORMITQPSA-N
XLogP4.24
TPSA66.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 54.24
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

(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 853401
1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole
CID 21402411
1-[2-(2,4-dichlorophenyl)-2-prop-2-ynylsulfanylethyl]imidazole
CID 21402168
O-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] carbamothioate
CID 140542063
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;rhodium
CID 142358126
1-[2-(2,4-dichlorophenyl)-2-prop-1-enoxyethyl]imidazole
CID 54337740
1-(2,5-dichlorophenyl)-2-imidazol-1-ylethanol
CID 12760611
1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole
CID 3760
1-[4-(2-chlorophenyl)-2-(2,4-dichlorophenyl)butyl]imidazole
CID 3006905
1-[3-(2-bromophenyl)-2-(2,4-dichlorophenyl)propyl]imidazole
CID 21499632
1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 51001700
1-[5-(4-chlorophenoxy)-2-(2,4-dichlorophenyl)pentyl]imidazole
CID 3006879

Frequently Asked Questions

What is the IUPAC name of 1-[2-azido-2-deuterio-2-(2,4-dichlorophenyl)ethyl]imidazole?
The IUPAC name of 1-[2-azido-2-deuterio-2-(2,4-dichlorophenyl)ethyl]imidazole (CID 154613010) is 1-[2-azido-2-deuterio-2-(2,4-dichlorophenyl)ethyl]imidazole.
What is the SMILES notation for 1-[2-azido-2-deuterio-2-(2,4-dichlorophenyl)ethyl]imidazole?
The canonical SMILES for 1-[2-azido-2-deuterio-2-(2,4-dichlorophenyl)ethyl]imidazole is [2H]C(Cn1ccnc1)(N=[N+]=[N-])c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-azido-2-deuterio-2-(2,4-dichlorophenyl)ethyl]imidazole?
The InChIKey is ZYOZOFLDVWJMLO-WORMITQPSA-N. The full InChI is InChI=1S/C11H9Cl2N5/c12-8-1-2-9(10(13)5-8)11(16-17-14)6-18-4-3-15-7-18/h1-5,7,11H,6H2/i11D.
What are the key properties of 1-[2-azido-2-deuterio-2-(2,4-dichlorophenyl)ethyl]imidazole?
1-[2-azido-2-deuterio-2-(2,4-dichlorophenyl)ethyl]imidazole has a molecular weight of 283.14 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-azido-2-deuterio-2-(2,4-dichlorophenyl)ethyl]imidazole is sourced from PubChem (CID 154613010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).