3-(4,5-dihydro-1H-imidazol-2-yl)-2-[(2-nitrophenyl)methoxy]pyridine

C15H14N4O3 — CID 82252016

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)-2-[(2-nitrophenyl)methoxy]pyridine
SMILESO=[N+]([O-])c1ccccc1COc1ncccc1C1=NCCN1
InChIInChI=1S/C15H14N4O3/c20-19(21)13-6-2-1-4-11(13)10-22-15-12(5-3-7-18-15)14-16-8-9-17-14/h1-7H,8-10H2,(H,16,17)
InChIKeyXTJWTEFGYBXEEK-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.92
Rot. Bonds5

About 3-(4,5-dihydro-1H-imidazol-2-yl)-2-[(2-nitrophenyl)methoxy]pyridine

3-(4,5-dihydro-1H-imidazol-2-yl)-2-[(2-nitrophenyl)methoxy]pyridine (PubChem CID 82252016) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)-2-[(2-nitrophenyl)methoxy]pyridine.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)-2-[(2-nitrophenyl)methoxy]pyridine
PubChem CID82252016
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)-2-[(2-nitrophenyl)methoxy]pyridine
SMILESO=[N+]([O-])c1ccccc1COc1ncccc1C1=NCCN1
InChIInChI=1S/C15H14N4O3/c20-19(21)13-6-2-1-4-11(13)10-22-15-12(5-3-7-18-15)14-16-8-9-17-14/h1-7H,8-10H2,(H,16,17)
InChIKeyXTJWTEFGYBXEEK-UHFFFAOYSA-N
XLogP1.92
TPSA89.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-nitrophenyl)-4,5-dihydro-1H-imidazole
CID 10877953
2-(2-chloro-3-nitrophenyl)-4,5-dihydro-1H-imidazole
CID 166454548
2-[(2-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole
CID 10330581
2-[3-methoxy-2-(2-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82239924
3-(4,5-dihydro-1H-imidazol-2-yl)-2-[(1-methylpyrazol-4-yl)methoxy]pyridine
CID 82245596
2-[2-(pyridin-4-ylmethoxy)-3-pyridinyl]-1,4,5,6-tetrahydropyrimidine
CID 82247194
2-[2-(methoxymethyl)phenyl]-4,5-dihydro-1H-imidazole
CID 82241061
5-[(2-nitrophenyl)methoxy]-1H-pyrazole
CID 53348295
2-[4-(2-methoxy-3-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazole
CID 59615691
N-[2-(2-nitrophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119138331
8-[[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]oxy]quinoline
CID 82250675
2-[2-[(2-bromophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82252865

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-2-[(2-nitrophenyl)methoxy]pyridine?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-2-[(2-nitrophenyl)methoxy]pyridine (CID 82252016) is 3-(4,5-dihydro-1H-imidazol-2-yl)-2-[(2-nitrophenyl)methoxy]pyridine.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)-2-[(2-nitrophenyl)methoxy]pyridine?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)-2-[(2-nitrophenyl)methoxy]pyridine is O=[N+]([O-])c1ccccc1COc1ncccc1C1=NCCN1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)-2-[(2-nitrophenyl)methoxy]pyridine?
The InChIKey is XTJWTEFGYBXEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c20-19(21)13-6-2-1-4-11(13)10-22-15-12(5-3-7-18-15)14-16-8-9-17-14/h1-7H,8-10H2,(H,16,17).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)-2-[(2-nitrophenyl)methoxy]pyridine?
3-(4,5-dihydro-1H-imidazol-2-yl)-2-[(2-nitrophenyl)methoxy]pyridine has a molecular weight of 298.30 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-yl)-2-[(2-nitrophenyl)methoxy]pyridine is sourced from PubChem (CID 82252016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).