5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-iodo-2-nitroaniline

C12H12FIN4O2 — CID 66100831

IUPAC5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-iodo-2-nitroaniline
SMILESCC(Cn1ccnc1)Nc1cc(F)c(I)cc1[N+](=O)[O-]
InChIInChI=1S/C12H12FIN4O2/c1-8(6-17-3-2-15-7-17)16-11-4-9(13)10(14)5-12(11)18(19)20/h2-5,7-8,16H,6H2,1H3
InChIKeyHSDQETBQDAELCZ-UHFFFAOYSA-N
MW390.16 g/mol
LogP3.04
Rot. Bonds5

About 5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-iodo-2-nitroaniline

5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-iodo-2-nitroaniline (PubChem CID 66100831) has the molecular formula C12H12FIN4O2 and a molecular weight of 390.16 g/mol. Its IUPAC name is 5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-iodo-2-nitroaniline.

Molecular Properties

Compound Name5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-iodo-2-nitroaniline
PubChem CID66100831
Molecular FormulaC12H12FIN4O2
Molecular Weight390.16 g/mol
Exact Mass390.00
IUPAC Name5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-iodo-2-nitroaniline
SMILESCC(Cn1ccnc1)Nc1cc(F)c(I)cc1[N+](=O)[O-]
InChIInChI=1S/C12H12FIN4O2/c1-8(6-17-3-2-15-7-17)16-11-4-9(13)10(14)5-12(11)18(19)20/h2-5,7-8,16H,6H2,1H3
InChIKeyHSDQETBQDAELCZ-UHFFFAOYSA-N
XLogP3.04
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.16
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-iodo-2-nitroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-N-(3-imidazol-1-ylpropyl)-4-iodo-2-nitroaniline
CID 66100623
N-(1-imidazol-1-ylpropan-2-yl)-3-nitropyridin-4-amine
CID 54958624
5-fluoro-4-iodo-2-nitro-N-propan-2-ylaniline
CID 66100227
N-(1-imidazol-1-ylpropan-2-yl)-2-methyl-4-nitroaniline
CID 61482429
5-fluoro-4-iodo-2-nitro-N-(1-pyridin-3-ylethyl)aniline
CID 66101998
3-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-nitroaniline
CID 80896955
2-N-(5-fluoro-4-iodo-2-nitrophenyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 66099657
5-fluoro-4-iodo-2-nitro-N-(1-pyridin-2-ylethyl)aniline
CID 66102193
4-fluoro-N-(2-imidazol-1-ylethyl)-5-methyl-2-nitroaniline
CID 103591574
5-fluoro-4-iodo-N-(4-methylpentyl)-2-nitroaniline
CID 66101220
5-fluoro-4-iodo-N-methyl-2-nitroaniline
CID 66100620
5-fluoro-4-iodo-N-[1-(5-methylfuran-2-yl)ethyl]-2-nitroaniline
CID 66101615

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-iodo-2-nitroaniline?
The IUPAC name of 5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-iodo-2-nitroaniline (CID 66100831) is 5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-iodo-2-nitroaniline.
What is the SMILES notation for 5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-iodo-2-nitroaniline?
The canonical SMILES for 5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-iodo-2-nitroaniline is CC(Cn1ccnc1)Nc1cc(F)c(I)cc1[N+](=O)[O-].
What is the InChIKey of 5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-iodo-2-nitroaniline?
The InChIKey is HSDQETBQDAELCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FIN4O2/c1-8(6-17-3-2-15-7-17)16-11-4-9(13)10(14)5-12(11)18(19)20/h2-5,7-8,16H,6H2,1H3.
What are the key properties of 5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-iodo-2-nitroaniline?
5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-iodo-2-nitroaniline has a molecular weight of 390.16 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-iodo-2-nitroaniline is sourced from PubChem (CID 66100831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).