1-[2-(2,4-dichlorophenyl)-2-fluoro-2-nitroethyl]imidazole;ethane

C15H20Cl2FN3O2 — CID 142515228

IUPAC1-[2-(2,4-dichlorophenyl)-2-fluoro-2-nitroethyl]imidazole;ethane
SMILESCC.CC.O=[N+]([O-])C(F)(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H8Cl2FN3O2.2C2H6/c12-8-1-2-9(10(13)5-8)11(14,17(18)19)6-16-4-3-15-7-16;2*1-2/h1-5,7H,6H2;2*1-2H3
InChIKeyGYUGGVHPJFXGNY-UHFFFAOYSA-N
MW364.25 g/mol
LogP5.34
Rot. Bonds4

About 1-[2-(2,4-dichlorophenyl)-2-fluoro-2-nitroethyl]imidazole;ethane

1-[2-(2,4-dichlorophenyl)-2-fluoro-2-nitroethyl]imidazole;ethane (PubChem CID 142515228) has the molecular formula C15H20Cl2FN3O2 and a molecular weight of 364.25 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-2-fluoro-2-nitroethyl]imidazole;ethane.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-2-fluoro-2-nitroethyl]imidazole;ethane
PubChem CID142515228
Molecular FormulaC15H20Cl2FN3O2
Molecular Weight364.25 g/mol
Exact Mass363.09
IUPAC Name1-[2-(2,4-dichlorophenyl)-2-fluoro-2-nitroethyl]imidazole;ethane
SMILESCC.CC.O=[N+]([O-])C(F)(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H8Cl2FN3O2.2C2H6/c12-8-1-2-9(10(13)5-8)11(14,17(18)19)6-16-4-3-15-7-16;2*1-2/h1-5,7H,6H2;2*1-2H3
InChIKeyGYUGGVHPJFXGNY-UHFFFAOYSA-N
XLogP5.34
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.25
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 20519458
1-[2-chloro-2-(2,4-dichlorophenyl)hexyl]imidazole
CID 19759744
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-4-methylpentan-2-ol
CID 13058890
1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol
CID 13269114
2-(2,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol;hydrochloride
CID 70569120
2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)pent-4-ynenitrile
CID 23339888
4-(2,4-dichlorophenyl)-4-hydroxy-5-imidazol-1-yl-3-sulfanylpentanoic acid
CID 88691821
2-(2-bromo-4-chlorophenyl)-1-(2-chlorophenyl)-3-imidazol-1-ylpropan-2-ol;nitric acid
CID 70550084
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol
CID 70480605
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-morpholin-4-ylpropan-2-ol
CID 13189528
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol
CID 3068282
1-(2,4-dichlorophenyl)-3-imidazol-1-yl-2-(4-iodophenyl)propan-2-ol;nitric acid
CID 70549876

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-fluoro-2-nitroethyl]imidazole;ethane?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-fluoro-2-nitroethyl]imidazole;ethane (CID 142515228) is 1-[2-(2,4-dichlorophenyl)-2-fluoro-2-nitroethyl]imidazole;ethane.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-2-fluoro-2-nitroethyl]imidazole;ethane?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-2-fluoro-2-nitroethyl]imidazole;ethane is CC.CC.O=[N+]([O-])C(F)(Cn1ccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-2-fluoro-2-nitroethyl]imidazole;ethane?
The InChIKey is GYUGGVHPJFXGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2FN3O2.2C2H6/c12-8-1-2-9(10(13)5-8)11(14,17(18)19)6-16-4-3-15-7-16;2*1-2/h1-5,7H,6H2;2*1-2H3.
What are the key properties of 1-[2-(2,4-dichlorophenyl)-2-fluoro-2-nitroethyl]imidazole;ethane?
1-[2-(2,4-dichlorophenyl)-2-fluoro-2-nitroethyl]imidazole;ethane has a molecular weight of 364.25 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-2-fluoro-2-nitroethyl]imidazole;ethane is sourced from PubChem (CID 142515228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).