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

C10H8FN3O2 — CID 103594395

IUPAC1-(4-fluoro-5-methyl-2-nitrophenyl)imidazole
SMILESCc1cc(-n2ccnc2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C10H8FN3O2/c1-7-4-9(13-3-2-12-6-13)10(14(15)16)5-8(7)11/h2-6H,1H3
InChIKeyHNMJMJMCVNGAOK-UHFFFAOYSA-N
MW221.19 g/mol
LogP2.23
Rot. Bonds2

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

1-(4-fluoro-5-methyl-2-nitrophenyl)imidazole (PubChem CID 103594395) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 1-(4-fluoro-5-methyl-2-nitrophenyl)imidazole.

Molecular Properties

Compound Name1-(4-fluoro-5-methyl-2-nitrophenyl)imidazole
PubChem CID103594395
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name1-(4-fluoro-5-methyl-2-nitrophenyl)imidazole
SMILESCc1cc(-n2ccnc2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C10H8FN3O2/c1-7-4-9(13-3-2-12-6-13)10(14(15)16)5-8(7)11/h2-6H,1H3
InChIKeyHNMJMJMCVNGAOK-UHFFFAOYSA-N
XLogP2.23
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 52.23
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-chloro-5-fluoro-2-nitrophenyl)imidazole
CID 66076916
1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpyrazole
CID 103594399
6-imidazol-1-yl-7-nitroquinoxaline-2,3-dione;hydrochloride
CID 78393024
1-(4-fluoro-3-nitrophenyl)imidazole
CID 139799498
6-imidazol-1-yl-7-nitro-1,4-dihydroquinoxaline-2,3-dione;hydrochloride
CID 5486547
4-fluoro-N-(2-imidazol-1-ylethyl)-5-methyl-2-nitroaniline
CID 103591574
N-(4-chloro-2-fluorophenyl)-4-imidazol-1-yl-3-nitrobenzamide
CID 26409874
4-imidazol-1-yl-3-nitro-N'-(2,3,4-trifluorophenyl)benzohydrazide
CID 56518476
4-imidazol-1-yl-N-(4-methylphenyl)-3-nitrobenzamide
CID 26086024
1-(4-fluoro-5-methyl-2-nitrophenyl)imidazole-4,5-dicarbonitrile
CID 103594391
N-ethyl-4-imidazol-1-yl-N-methyl-3-nitrobenzamide
CID 134023564
N-[2-(4-fluorophenyl)ethyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 39044091

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-5-methyl-2-nitrophenyl)imidazole?
The IUPAC name of 1-(4-fluoro-5-methyl-2-nitrophenyl)imidazole (CID 103594395) is 1-(4-fluoro-5-methyl-2-nitrophenyl)imidazole.
What is the SMILES notation for 1-(4-fluoro-5-methyl-2-nitrophenyl)imidazole?
The canonical SMILES for 1-(4-fluoro-5-methyl-2-nitrophenyl)imidazole is Cc1cc(-n2ccnc2)c([N+](=O)[O-])cc1F.
What is the InChIKey of 1-(4-fluoro-5-methyl-2-nitrophenyl)imidazole?
The InChIKey is HNMJMJMCVNGAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c1-7-4-9(13-3-2-12-6-13)10(14(15)16)5-8(7)11/h2-6H,1H3.
What are the key properties of 1-(4-fluoro-5-methyl-2-nitrophenyl)imidazole?
1-(4-fluoro-5-methyl-2-nitrophenyl)imidazole has a molecular weight of 221.19 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-5-methyl-2-nitrophenyl)imidazole is sourced from PubChem (CID 103594395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).