1-[2-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methylselanyl]ethyl]imidazole

C18H15Cl2FN2Se — CID 162644406

IUPAC1-[2-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methylselanyl]ethyl]imidazole
SMILESFc1cccc(C[Se]C(Cn2ccnc2)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H15Cl2FN2Se/c19-14-4-5-16(17(20)9-14)18(10-23-7-6-22-12-23)24-11-13-2-1-3-15(21)8-13/h1-9,12,18H,10-11H2
InChIKeyOCOOBEHTQOJGBK-UHFFFAOYSA-N
MW428.20 g/mol
LogP4.97
Rot. Bonds6

About 1-[2-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methylselanyl]ethyl]imidazole

1-[2-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methylselanyl]ethyl]imidazole (PubChem CID 162644406) has the molecular formula C18H15Cl2FN2Se and a molecular weight of 428.20 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methylselanyl]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methylselanyl]ethyl]imidazole
PubChem CID162644406
Molecular FormulaC18H15Cl2FN2Se
Molecular Weight428.20 g/mol
Exact Mass427.98
IUPAC Name1-[2-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methylselanyl]ethyl]imidazole
SMILESFc1cccc(C[Se]C(Cn2ccnc2)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H15Cl2FN2Se/c19-14-4-5-16(17(20)9-14)18(10-23-7-6-22-12-23)24-11-13-2-1-3-15(21)8-13/h1-9,12,18H,10-11H2
InChIKeyOCOOBEHTQOJGBK-UHFFFAOYSA-N
XLogP4.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.20
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 853401
1-[2-chloro-2-(2,4-difluorophenyl)ethyl]imidazole
CID 21402230
1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole
CID 3760
1-[2-(2,4-dichlorophenyl)-4-(2-fluorophenoxy)butyl]imidazole
CID 170562599
1-[2-(2,4-dichlorophenyl)-2-prop-2-ynylsulfanylethyl]imidazole
CID 21402168
1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole
CID 21402411
1-[3-(2-bromophenyl)-2-(2,4-dichlorophenyl)propyl]imidazole
CID 21499632
O-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] carbamothioate
CID 140542063
1-[2-(2,4-dichlorophenyl)-2-prop-1-enoxyethyl]imidazole
CID 54337740
1-[4-(3-chlorophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole
CID 170562609
1-(2,5-dichlorophenyl)-2-imidazol-1-ylethanol
CID 12760611
bis(1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole);nitric acid
CID 135290396

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methylselanyl]ethyl]imidazole?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methylselanyl]ethyl]imidazole (CID 162644406) is 1-[2-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methylselanyl]ethyl]imidazole.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methylselanyl]ethyl]imidazole?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methylselanyl]ethyl]imidazole is Fc1cccc(C[Se]C(Cn2ccnc2)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methylselanyl]ethyl]imidazole?
The InChIKey is OCOOBEHTQOJGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN2Se/c19-14-4-5-16(17(20)9-14)18(10-23-7-6-22-12-23)24-11-13-2-1-3-15(21)8-13/h1-9,12,18H,10-11H2.
What are the key properties of 1-[2-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methylselanyl]ethyl]imidazole?
1-[2-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methylselanyl]ethyl]imidazole has a molecular weight of 428.20 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methylselanyl]ethyl]imidazole is sourced from PubChem (CID 162644406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).