4-[3-methoxy-5-[4-methyl-2-(3-methyl-4-pyridinyl)imidazol-1-yl]-4-nitrophenyl]morpholine

C21H23N5O4 — CID 71490946

IUPAC4-[3-methoxy-5-[4-methyl-2-(3-methyl-4-pyridinyl)imidazol-1-yl]-4-nitrophenyl]morpholine
SMILESCOc1cc(N2CCOCC2)cc(-n2cc(C)nc2-c2ccncc2C)c1[N+](=O)[O-]
InChIInChI=1S/C21H23N5O4/c1-14-12-22-5-4-17(14)21-23-15(2)13-25(21)18-10-16(24-6-8-30-9-7-24)11-19(29-3)20(18)26(27)28/h4-5,10-13H,6-9H2,1-3H3
InChIKeyHFRGXCXLYKBNSS-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.30
Rot. Bonds5

About 4-[3-methoxy-5-[4-methyl-2-(3-methyl-4-pyridinyl)imidazol-1-yl]-4-nitrophenyl]morpholine

4-[3-methoxy-5-[4-methyl-2-(3-methyl-4-pyridinyl)imidazol-1-yl]-4-nitrophenyl]morpholine (PubChem CID 71490946) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is 4-[3-methoxy-5-[4-methyl-2-(3-methyl-4-pyridinyl)imidazol-1-yl]-4-nitrophenyl]morpholine.

Molecular Properties

Compound Name4-[3-methoxy-5-[4-methyl-2-(3-methyl-4-pyridinyl)imidazol-1-yl]-4-nitrophenyl]morpholine
PubChem CID71490946
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Name4-[3-methoxy-5-[4-methyl-2-(3-methyl-4-pyridinyl)imidazol-1-yl]-4-nitrophenyl]morpholine
SMILESCOc1cc(N2CCOCC2)cc(-n2cc(C)nc2-c2ccncc2C)c1[N+](=O)[O-]
InChIInChI=1S/C21H23N5O4/c1-14-12-22-5-4-17(14)21-23-15(2)13-25(21)18-10-16(24-6-8-30-9-7-24)11-19(29-3)20(18)26(27)28/h4-5,10-13H,6-9H2,1-3H3
InChIKeyHFRGXCXLYKBNSS-UHFFFAOYSA-N
XLogP3.30
TPSA95.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

3-methoxy-5-[2-(5-methoxy-3-pyridinyl)-4-methylimidazol-1-yl]-4-nitrophenol
CID 70226560
ethane;1-(5-fluoro-3-methoxy-2-nitrophenyl)-2,4-dimethylimidazole
CID 143812513
3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-yl-2-nitroaniline
CID 139331354
4-(6-nitro-3-bicyclo[3.1.1]hepta-1,3,5-trienyl)morpholine
CID 173213959
4-bromo-1-methoxy-2-nitrobenzene;4-(4-methoxy-3-nitrophenyl)morpholine
CID 162166043
ethane;4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]pyridine-3-carbonitrile
CID 145041366
1-(4-fluoro-5-methoxy-2-nitrophenyl)-4-pyridin-4-ylpiperazine
CID 75426080
4-[4-chloro-6-(3-methyl-4-pyridinyl)-1,3,5-triazin-2-yl]morpholine
CID 66278843
4-(3-morpholin-4-yl-4-nitrophenyl)morpholine
CID 2829644
4-(3-methyl-5-nitrothiophen-2-yl)morpholine
CID 11075160
N-(2-methoxy-5-methylphenyl)-5-morpholin-4-yl-1,3-benzothiazol-2-amine
CID 89255837
4-N-(4-methoxyphenyl)-2-morpholin-4-yl-5-nitropyrimidine-4,6-diamine
CID 3286273

Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-5-[4-methyl-2-(3-methyl-4-pyridinyl)imidazol-1-yl]-4-nitrophenyl]morpholine?
The IUPAC name of 4-[3-methoxy-5-[4-methyl-2-(3-methyl-4-pyridinyl)imidazol-1-yl]-4-nitrophenyl]morpholine (CID 71490946) is 4-[3-methoxy-5-[4-methyl-2-(3-methyl-4-pyridinyl)imidazol-1-yl]-4-nitrophenyl]morpholine.
What is the SMILES notation for 4-[3-methoxy-5-[4-methyl-2-(3-methyl-4-pyridinyl)imidazol-1-yl]-4-nitrophenyl]morpholine?
The canonical SMILES for 4-[3-methoxy-5-[4-methyl-2-(3-methyl-4-pyridinyl)imidazol-1-yl]-4-nitrophenyl]morpholine is COc1cc(N2CCOCC2)cc(-n2cc(C)nc2-c2ccncc2C)c1[N+](=O)[O-].
What is the InChIKey of 4-[3-methoxy-5-[4-methyl-2-(3-methyl-4-pyridinyl)imidazol-1-yl]-4-nitrophenyl]morpholine?
The InChIKey is HFRGXCXLYKBNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-14-12-22-5-4-17(14)21-23-15(2)13-25(21)18-10-16(24-6-8-30-9-7-24)11-19(29-3)20(18)26(27)28/h4-5,10-13H,6-9H2,1-3H3.
What are the key properties of 4-[3-methoxy-5-[4-methyl-2-(3-methyl-4-pyridinyl)imidazol-1-yl]-4-nitrophenyl]morpholine?
4-[3-methoxy-5-[4-methyl-2-(3-methyl-4-pyridinyl)imidazol-1-yl]-4-nitrophenyl]morpholine has a molecular weight of 409.45 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxy-5-[4-methyl-2-(3-methyl-4-pyridinyl)imidazol-1-yl]-4-nitrophenyl]morpholine is sourced from PubChem (CID 71490946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).