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

C16H15N3O4 — CID 82239924

IUPAC2-[3-methoxy-2-(2-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole
SMILESCOc1cccc(C2=NCCN2)c1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O4/c1-22-14-8-4-5-11(16-17-9-10-18-16)15(14)23-13-7-3-2-6-12(13)19(20)21/h2-8H,9-10H2,1H3,(H,17,18)
InChIKeyRVGBGKQPRBBWAA-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.75
Rot. Bonds5

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

2-[3-methoxy-2-(2-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 82239924) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-[3-methoxy-2-(2-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[3-methoxy-2-(2-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole
PubChem CID82239924
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name2-[3-methoxy-2-(2-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole
SMILESCOc1cccc(C2=NCCN2)c1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O4/c1-22-14-8-4-5-11(16-17-9-10-18-16)15(14)23-13-7-3-2-6-12(13)19(20)21/h2-8H,9-10H2,1H3,(H,17,18)
InChIKeyRVGBGKQPRBBWAA-UHFFFAOYSA-N
XLogP2.75
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.75
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'}

Analyze 2-[3-methoxy-2-(2-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-methoxy-3-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazole
CID 59615691
2-(2-nitrophenyl)-4,5-dihydro-1H-imidazole
CID 10877953
2-(2-chloro-3-nitrophenyl)-4,5-dihydro-1H-imidazole
CID 166454548
3-(4,5-dihydro-1H-imidazol-2-yl)-2-[(2-nitrophenyl)methoxy]pyridine
CID 82252016
1-(2-methoxyphenyl)-2-nitrobenzene
CID 818687
2-[2-[(2,6-dimethoxyphenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252949
1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene
CID 10868487
2-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82240364
2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propanoic acid
CID 82243185
2-[2-methoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N-phenylacetamide
CID 82252786
1,2-dimethoxy-4-(2-nitrophenoxy)benzene
CID 11369382
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-nitroaniline
CID 9182584

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-2-(2-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[3-methoxy-2-(2-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole (CID 82239924) is 2-[3-methoxy-2-(2-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[3-methoxy-2-(2-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[3-methoxy-2-(2-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole is COc1cccc(C2=NCCN2)c1Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[3-methoxy-2-(2-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is RVGBGKQPRBBWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-22-14-8-4-5-11(16-17-9-10-18-16)15(14)23-13-7-3-2-6-12(13)19(20)21/h2-8H,9-10H2,1H3,(H,17,18).
What are the key properties of 2-[3-methoxy-2-(2-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole?
2-[3-methoxy-2-(2-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 313.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-2-(2-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 82239924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).