2-(2-fluoro-4-nitrophenyl)-5-methyl-4,5-dihydro-1H-imidazole

C10H10FN3O2 — CID 70132056

IUPAC2-(2-fluoro-4-nitrophenyl)-5-methyl-4,5-dihydro-1H-imidazole
SMILESCC1CN=C(c2ccc([N+](=O)[O-])cc2F)N1
InChIInChI=1S/C10H10FN3O2/c1-6-5-12-10(13-6)8-3-2-7(14(15)16)4-9(8)11/h2-4,6H,5H2,1H3,(H,12,13)
InChIKeyLTMAPRARPOPFFU-UHFFFAOYSA-N
MW223.21 g/mol
LogP1.47
Rot. Bonds2

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

2-(2-fluoro-4-nitrophenyl)-5-methyl-4,5-dihydro-1H-imidazole (PubChem CID 70132056) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is 2-(2-fluoro-4-nitrophenyl)-5-methyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(2-fluoro-4-nitrophenyl)-5-methyl-4,5-dihydro-1H-imidazole
PubChem CID70132056
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name2-(2-fluoro-4-nitrophenyl)-5-methyl-4,5-dihydro-1H-imidazole
SMILESCC1CN=C(c2ccc([N+](=O)[O-])cc2F)N1
InChIInChI=1S/C10H10FN3O2/c1-6-5-12-10(13-6)8-3-2-7(14(15)16)4-9(8)11/h2-4,6H,5H2,1H3,(H,12,13)
InChIKeyLTMAPRARPOPFFU-UHFFFAOYSA-N
XLogP1.47
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-nitrophenyl)-5-methyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(2-fluoro-4-nitrophenyl)-5-methyl-4,5-dihydro-1H-imidazole (CID 70132056) is 2-(2-fluoro-4-nitrophenyl)-5-methyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(2-fluoro-4-nitrophenyl)-5-methyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(2-fluoro-4-nitrophenyl)-5-methyl-4,5-dihydro-1H-imidazole is CC1CN=C(c2ccc([N+](=O)[O-])cc2F)N1.
What is the InChIKey of 2-(2-fluoro-4-nitrophenyl)-5-methyl-4,5-dihydro-1H-imidazole?
The InChIKey is LTMAPRARPOPFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c1-6-5-12-10(13-6)8-3-2-7(14(15)16)4-9(8)11/h2-4,6H,5H2,1H3,(H,12,13).
What are the key properties of 2-(2-fluoro-4-nitrophenyl)-5-methyl-4,5-dihydro-1H-imidazole?
2-(2-fluoro-4-nitrophenyl)-5-methyl-4,5-dihydro-1H-imidazole has a molecular weight of 223.21 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-nitrophenyl)-5-methyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 70132056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).