2-[4-[(3-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole

C16H15N3O3 — CID 82251895

IUPAC2-[4-[(3-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
SMILESO=[N+]([O-])c1cccc(COc2ccc(C3=NCCN3)cc2)c1
InChIInChI=1S/C16H15N3O3/c20-19(21)14-3-1-2-12(10-14)11-22-15-6-4-13(5-7-15)16-17-8-9-18-16/h1-7,10H,8-9,11H2,(H,17,18)
InChIKeyXNGUOHKELNWZPD-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.52
Rot. Bonds5

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

2-[4-[(3-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 82251895) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[4-[(3-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[4-[(3-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
PubChem CID82251895
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-[4-[(3-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
SMILESO=[N+]([O-])c1cccc(COc2ccc(C3=NCCN3)cc2)c1
InChIInChI=1S/C16H15N3O3/c20-19(21)14-3-1-2-12(10-14)11-22-15-6-4-13(5-7-15)16-17-8-9-18-16/h1-7,10H,8-9,11H2,(H,17,18)
InChIKeyXNGUOHKELNWZPD-UHFFFAOYSA-N
XLogP2.52
TPSA76.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.52
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-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82249999
1-nitro-3-[(4-phenylphenoxy)methyl]benzene
CID 58287787
1-[[4-(4-methylphenyl)phenoxy]methyl]-3-nitrobenzene
CID 894550
2-[4-[2-[[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethoxymethyl]phenyl]methoxy]ethoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
CID 162335122
4-[(3-nitrophenyl)methoxy]benzenesulfonyl chloride
CID 43108766
1-nitro-3-[[3-[(3-nitrophenyl)methoxy]phenoxy]methyl]benzene
CID 3841290
2-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82240282
ethane;1-nitro-3-(phenoxymethyl)benzene
CID 142321514
2-[3-fluoro-4-(3-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82252404
1-[4-[(3-nitrophenyl)methoxy]phenyl]ethanone
CID 24695698
2-[3-[(3-bromophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82240383
2-[4-(4-nitrophenoxy)phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82251885

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[4-[(3-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole (CID 82251895) is 2-[4-[(3-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[4-[(3-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[4-[(3-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole is O=[N+]([O-])c1cccc(COc2ccc(C3=NCCN3)cc2)c1.
What is the InChIKey of 2-[4-[(3-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is XNGUOHKELNWZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-19(21)14-3-1-2-12(10-14)11-22-15-6-4-13(5-7-15)16-17-8-9-18-16/h1-7,10H,8-9,11H2,(H,17,18).
What are the key properties of 2-[4-[(3-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole?
2-[4-[(3-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 297.31 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 82251895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).