1-(4-chloro-5-fluoro-2-nitrophenyl)imidazole

C9H5ClFN3O2 — CID 66076916

IUPAC1-(4-chloro-5-fluoro-2-nitrophenyl)imidazole
SMILESO=[N+]([O-])c1cc(Cl)c(F)cc1-n1ccnc1
InChIInChI=1S/C9H5ClFN3O2/c10-6-3-9(14(15)16)8(4-7(6)11)13-2-1-12-5-13/h1-5H
InChIKeyLFWNCPIHJPJUAV-UHFFFAOYSA-N
MW241.61 g/mol
LogP2.57
Rot. Bonds2

About 1-(4-chloro-5-fluoro-2-nitrophenyl)imidazole

1-(4-chloro-5-fluoro-2-nitrophenyl)imidazole (PubChem CID 66076916) has the molecular formula C9H5ClFN3O2 and a molecular weight of 241.61 g/mol. Its IUPAC name is 1-(4-chloro-5-fluoro-2-nitrophenyl)imidazole.

Molecular Properties

Compound Name1-(4-chloro-5-fluoro-2-nitrophenyl)imidazole
PubChem CID66076916
Molecular FormulaC9H5ClFN3O2
Molecular Weight241.61 g/mol
Exact Mass241.01
IUPAC Name1-(4-chloro-5-fluoro-2-nitrophenyl)imidazole
SMILESO=[N+]([O-])c1cc(Cl)c(F)cc1-n1ccnc1
InChIInChI=1S/C9H5ClFN3O2/c10-6-3-9(14(15)16)8(4-7(6)11)13-2-1-12-5-13/h1-5H
InChIKeyLFWNCPIHJPJUAV-UHFFFAOYSA-N
XLogP2.57
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.61
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluoro-5-methyl-2-nitrophenyl)imidazole
CID 103594395
6-imidazol-1-yl-7-nitroquinoxaline-2,3-dione;hydrochloride
CID 78393024
1-(4-fluoro-3-nitrophenyl)imidazole
CID 139799498
N-(4-chloro-2-fluorophenyl)-4-imidazol-1-yl-3-nitrobenzamide
CID 26409874
6-imidazol-1-yl-7-nitro-1,4-dihydroquinoxaline-2,3-dione;hydrochloride
CID 5486547
1-(4-chloro-5-fluoro-2-nitrophenyl)imidazole-4,5-dicarbonitrile
CID 115945020
1-(4-chloro-5-fluoro-2-nitrophenyl)-4-methylpiperidin-4-ol
CID 81115527
4-imidazol-1-yl-3-nitro-N'-(2,3,4-trifluorophenyl)benzohydrazide
CID 56518476
1-(4-chloro-5-fluoro-2-nitrophenyl)-3,5-dimethylpiperazine
CID 66079311
4-chloro-5-fluoro-2-nitroaniline
CID 10465141
N-(4-fluoro-3-nitrophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114098
[4-(4-imidazol-1-yl-3-nitrobenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 39404754

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-5-fluoro-2-nitrophenyl)imidazole?
The IUPAC name of 1-(4-chloro-5-fluoro-2-nitrophenyl)imidazole (CID 66076916) is 1-(4-chloro-5-fluoro-2-nitrophenyl)imidazole.
What is the SMILES notation for 1-(4-chloro-5-fluoro-2-nitrophenyl)imidazole?
The canonical SMILES for 1-(4-chloro-5-fluoro-2-nitrophenyl)imidazole is O=[N+]([O-])c1cc(Cl)c(F)cc1-n1ccnc1.
What is the InChIKey of 1-(4-chloro-5-fluoro-2-nitrophenyl)imidazole?
The InChIKey is LFWNCPIHJPJUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFN3O2/c10-6-3-9(14(15)16)8(4-7(6)11)13-2-1-12-5-13/h1-5H.
What are the key properties of 1-(4-chloro-5-fluoro-2-nitrophenyl)imidazole?
1-(4-chloro-5-fluoro-2-nitrophenyl)imidazole has a molecular weight of 241.61 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-5-fluoro-2-nitrophenyl)imidazole is sourced from PubChem (CID 66076916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).