2-[3-fluoro-4-(3-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole

C15H12FN3O3 — CID 82252404

IUPAC2-[3-fluoro-4-(3-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole
SMILESO=[N+]([O-])c1cccc(Oc2ccc(C3=NCCN3)cc2F)c1
InChIInChI=1S/C15H12FN3O3/c16-13-8-10(15-17-6-7-18-15)4-5-14(13)22-12-3-1-2-11(9-12)19(20)21/h1-5,8-9H,6-7H2,(H,17,18)
InChIKeyPAFYLXIMJPLPBD-UHFFFAOYSA-N
MW301.28 g/mol
LogP2.88
Rot. Bonds4

About 2-[3-fluoro-4-(3-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole

2-[3-fluoro-4-(3-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 82252404) has the molecular formula C15H12FN3O3 and a molecular weight of 301.28 g/mol. Its IUPAC name is 2-[3-fluoro-4-(3-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[3-fluoro-4-(3-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole
PubChem CID82252404
Molecular FormulaC15H12FN3O3
Molecular Weight301.28 g/mol
Exact Mass301.09
IUPAC Name2-[3-fluoro-4-(3-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole
SMILESO=[N+]([O-])c1cccc(Oc2ccc(C3=NCCN3)cc2F)c1
InChIInChI=1S/C15H12FN3O3/c16-13-8-10(15-17-6-7-18-15)4-5-14(13)22-12-3-1-2-11(9-12)19(20)21/h1-5,8-9H,6-7H2,(H,17,18)
InChIKeyPAFYLXIMJPLPBD-UHFFFAOYSA-N
XLogP2.88
TPSA76.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
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-[4-(3-bromophenoxy)-3-fluorophenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252902
2-[4-[(3-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82251895
1-[3-fluoro-4-(3-nitrophenoxy)phenyl]ethanone
CID 61030514
N-[[3-fluoro-4-(3-nitrophenoxy)phenyl]methyl]ethanamine
CID 61031652
2-(3-methoxyphenyl)-4,5-dihydro-1H-imidazole
CID 3771231
2-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82240282
2-[4-(4-nitrophenoxy)phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82251885
1-[3-(2-fluoro-4-nitrophenoxy)phenyl]ethanone
CID 47184501
8-(3-nitrophenoxy)-1,2,3,4-tetrahydroquinoline
CID 61025966
N-(3-nitrophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 15937972
1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanamine
CID 61030760
1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanol
CID 61032421

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(3-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[3-fluoro-4-(3-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole (CID 82252404) is 2-[3-fluoro-4-(3-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[3-fluoro-4-(3-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[3-fluoro-4-(3-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole is O=[N+]([O-])c1cccc(Oc2ccc(C3=NCCN3)cc2F)c1.
What is the InChIKey of 2-[3-fluoro-4-(3-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is PAFYLXIMJPLPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3/c16-13-8-10(15-17-6-7-18-15)4-5-14(13)22-12-3-1-2-11(9-12)19(20)21/h1-5,8-9H,6-7H2,(H,17,18).
What are the key properties of 2-[3-fluoro-4-(3-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole?
2-[3-fluoro-4-(3-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 301.28 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(3-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 82252404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).