ethane;1-(5-fluoro-3-methoxy-2-nitrophenyl)-2,4-dimethylimidazole

C16H24FN3O3 — CID 143812513

IUPACethane;1-(5-fluoro-3-methoxy-2-nitrophenyl)-2,4-dimethylimidazole
SMILESCC.CC.COc1cc(F)cc(-n2cc(C)nc2C)c1[N+](=O)[O-]
InChIInChI=1S/C12H12FN3O3.2C2H6/c1-7-6-15(8(2)14-7)10-4-9(13)5-11(19-3)12(10)16(17)18;2*1-2/h4-6H,1-3H3;2*1-2H3
InChIKeyPRLNXKSHVAVXAK-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.60
Rot. Bonds3

About ethane;1-(5-fluoro-3-methoxy-2-nitrophenyl)-2,4-dimethylimidazole

ethane;1-(5-fluoro-3-methoxy-2-nitrophenyl)-2,4-dimethylimidazole (PubChem CID 143812513) has the molecular formula C16H24FN3O3 and a molecular weight of 325.38 g/mol. Its IUPAC name is ethane;1-(5-fluoro-3-methoxy-2-nitrophenyl)-2,4-dimethylimidazole.

Molecular Properties

Compound Nameethane;1-(5-fluoro-3-methoxy-2-nitrophenyl)-2,4-dimethylimidazole
PubChem CID143812513
Molecular FormulaC16H24FN3O3
Molecular Weight325.38 g/mol
Exact Mass325.18
IUPAC Nameethane;1-(5-fluoro-3-methoxy-2-nitrophenyl)-2,4-dimethylimidazole
SMILESCC.CC.COc1cc(F)cc(-n2cc(C)nc2C)c1[N+](=O)[O-]
InChIInChI=1S/C12H12FN3O3.2C2H6/c1-7-6-15(8(2)14-7)10-4-9(13)5-11(19-3)12(10)16(17)18;2*1-2/h4-6H,1-3H3;2*1-2H3
InChIKeyPRLNXKSHVAVXAK-UHFFFAOYSA-N
XLogP4.60
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-[1-(5-fluoro-3-methoxy-2-nitrophenyl)-4-methylimidazol-2-yl]-N,N,5-trimethylpyrazol-3-amine
CID 71490930
1-bromo-5-fluoro-3-methoxy-2-nitrobenzene
CID 122237423
1-(2-methoxy-4-methylphenyl)-2,4-dimethylimidazole
CID 91609134
3-methoxy-5-[2-(5-methoxy-3-pyridinyl)-4-methylimidazol-1-yl]-4-nitrophenol
CID 70226560
2-(2-chlorophenyl)-1-(3-methoxy-2-nitrophenyl)-4-methylimidazole
CID 71490910
4-[3-methoxy-5-[4-methyl-2-(3-methyl-4-pyridinyl)imidazol-1-yl]-4-nitrophenyl]morpholine
CID 71490946
4-methoxy-6-methyl-3-nitro-2-(trifluoromethoxy)pyridine
CID 134659446
5-fluoro-1,2-dimethoxy-3-nitrobenzene
CID 118807824
6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbonyl chloride
CID 118803999
1-fluoro-3,5-dimethoxy-2-nitrobenzene
CID 71490874
1,3,5-trimethoxy-2-nitrobenzene
CID 518903
4-fluoro-2-methoxy-6-nitrophenol
CID 134392027

Frequently Asked Questions

What is the IUPAC name of ethane;1-(5-fluoro-3-methoxy-2-nitrophenyl)-2,4-dimethylimidazole?
The IUPAC name of ethane;1-(5-fluoro-3-methoxy-2-nitrophenyl)-2,4-dimethylimidazole (CID 143812513) is ethane;1-(5-fluoro-3-methoxy-2-nitrophenyl)-2,4-dimethylimidazole.
What is the SMILES notation for ethane;1-(5-fluoro-3-methoxy-2-nitrophenyl)-2,4-dimethylimidazole?
The canonical SMILES for ethane;1-(5-fluoro-3-methoxy-2-nitrophenyl)-2,4-dimethylimidazole is CC.CC.COc1cc(F)cc(-n2cc(C)nc2C)c1[N+](=O)[O-].
What is the InChIKey of ethane;1-(5-fluoro-3-methoxy-2-nitrophenyl)-2,4-dimethylimidazole?
The InChIKey is PRLNXKSHVAVXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3.2C2H6/c1-7-6-15(8(2)14-7)10-4-9(13)5-11(19-3)12(10)16(17)18;2*1-2/h4-6H,1-3H3;2*1-2H3.
What are the key properties of ethane;1-(5-fluoro-3-methoxy-2-nitrophenyl)-2,4-dimethylimidazole?
ethane;1-(5-fluoro-3-methoxy-2-nitrophenyl)-2,4-dimethylimidazole has a molecular weight of 325.38 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(5-fluoro-3-methoxy-2-nitrophenyl)-2,4-dimethylimidazole is sourced from PubChem (CID 143812513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).