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

C17H17N3O4 — CID 82240282

IUPAC2-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
SMILESCOc1cc(C2=NCCN2)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H17N3O4/c1-23-16-10-13(17-18-8-9-19-17)4-7-15(16)24-11-12-2-5-14(6-3-12)20(21)22/h2-7,10H,8-9,11H2,1H3,(H,18,19)
InChIKeyWXRUTCKQEYHSQP-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.53
Rot. Bonds6

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

2-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 82240282) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
PubChem CID82240282
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name2-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
SMILESCOc1cc(C2=NCCN2)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H17N3O4/c1-23-16-10-13(17-18-8-9-19-17)4-7-15(16)24-11-12-2-5-14(6-3-12)20(21)22/h2-7,10H,8-9,11H2,1H3,(H,18,19)
InChIKeyWXRUTCKQEYHSQP-UHFFFAOYSA-N
XLogP2.53
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.53
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-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 110538768
2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]propoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
CID 90664413
2-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
CID 90664911
3-[[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]methyl]-N,N-dimethylaniline
CID 82240251
2-[3-methoxy-4-[(2-methoxyphenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82239905
2-[4-[(3-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82251895
2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole
CID 82252921
2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-4,5-dihydro-1H-imidazole
CID 110537997
2-(4-ethoxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82243218
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-6-nitro-1H-benzimidazole
CID 110533146
2-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 70694745
4-[[4-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorophenoxy]methyl]-N,N-dimethylaniline
CID 82252766

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole (CID 82240282) is 2-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole is COc1cc(C2=NCCN2)ccc1OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is WXRUTCKQEYHSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-23-16-10-13(17-18-8-9-19-17)4-7-15(16)24-11-12-2-5-14(6-3-12)20(21)22/h2-7,10H,8-9,11H2,1H3,(H,18,19).
What are the key properties of 2-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole?
2-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 327.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 82240282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).