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

C16H15N3O3 — CID 59615691

IUPAC2-[4-(2-methoxy-3-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazole
SMILESCOc1c(-c2ccc(C3=NCCN3)cc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O3/c1-22-15-13(3-2-4-14(15)19(20)21)11-5-7-12(8-6-11)16-17-9-10-18-16/h2-8H,9-10H2,1H3,(H,17,18)
InChIKeyWWXGIYUDHVOOOL-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.62
Rot. Bonds4

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

2-[4-(2-methoxy-3-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 59615691) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[4-(2-methoxy-3-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[4-(2-methoxy-3-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazole
PubChem CID59615691
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-[4-(2-methoxy-3-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazole
SMILESCOc1c(-c2ccc(C3=NCCN3)cc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O3/c1-22-15-13(3-2-4-14(15)19(20)21)11-5-7-12(8-6-11)16-17-9-10-18-16/h2-8H,9-10H2,1H3,(H,17,18)
InChIKeyWWXGIYUDHVOOOL-UHFFFAOYSA-N
XLogP2.62
TPSA76.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.62
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-[3-methoxy-2-(2-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82239924
2-(2-nitrophenyl)-4,5-dihydro-1H-imidazole
CID 10877953
2-(2-chloro-3-nitrophenyl)-4,5-dihydro-1H-imidazole
CID 166454548
4-(2-methoxy-3-nitrophenyl)benzaldehyde
CID 57483828
2-(4-naphthalen-1-ylphenyl)-4,5-dihydro-1H-imidazole
CID 10221130
2-[4-[(3-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82251895
2-(3-methoxyphenyl)-4,5-dihydro-1H-imidazole
CID 3771231
5-(2-methoxy-3-nitrophenyl)-1-methyl-1,2,4-triazole
CID 90142163
3-(4,5-dihydro-1H-imidazol-2-yl)-2-[(2-nitrophenyl)methoxy]pyridine
CID 82252016
2-[4-(3-nitrophenyl)-1-benzofuran-2-yl]-4,5-dihydro-1H-imidazole
CID 22083529
1-(2-methoxy-3-nitrophenyl)pyrazole
CID 90135701
4-(2-methoxy-3-nitrophenyl)-2,5-dimethyl-1,3-oxazole
CID 166130645

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxy-3-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[4-(2-methoxy-3-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazole (CID 59615691) is 2-[4-(2-methoxy-3-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[4-(2-methoxy-3-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[4-(2-methoxy-3-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazole is COc1c(-c2ccc(C3=NCCN3)cc2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-[4-(2-methoxy-3-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is WWXGIYUDHVOOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-22-15-13(3-2-4-14(15)19(20)21)11-5-7-12(8-6-11)16-17-9-10-18-16/h2-8H,9-10H2,1H3,(H,17,18).
What are the key properties of 2-[4-(2-methoxy-3-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazole?
2-[4-(2-methoxy-3-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 297.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxy-3-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 59615691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).