3-methyl-11-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-f]phenanthridine

C26H22N4O — CID 140593834

IUPAC3-methyl-11-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-f]phenanthridine
SMILESCc1cnc2c3cc(Oc4cccc(N5C=CN(C)C5)c4)ccc3c3ccccc3n12
InChIInChI=1S/C26H22N4O/c1-18-16-27-26-24-15-21(10-11-22(24)23-8-3-4-9-25(23)30(18)26)31-20-7-5-6-19(14-20)29-13-12-28(2)17-29/h3-16H,17H2,1-2H3
InChIKeyXYNWEYJQXLBUQP-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.92
Rot. Bonds3

About 3-methyl-11-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-f]phenanthridine

3-methyl-11-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-f]phenanthridine (PubChem CID 140593834) has the molecular formula C26H22N4O and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-methyl-11-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name3-methyl-11-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-f]phenanthridine
PubChem CID140593834
Molecular FormulaC26H22N4O
Molecular Weight406.49 g/mol
Exact Mass406.18
IUPAC Name3-methyl-11-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-f]phenanthridine
SMILESCc1cnc2c3cc(Oc4cccc(N5C=CN(C)C5)c4)ccc3c3ccccc3n12
InChIInChI=1S/C26H22N4O/c1-18-16-27-26-24-15-21(10-11-22(24)23-8-3-4-9-25(23)30(18)26)31-20-7-5-6-19(14-20)29-13-12-28(2)17-29/h3-16H,17H2,1-2H3
InChIKeyXYNWEYJQXLBUQP-UHFFFAOYSA-N
XLogP5.92
TPSA33.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-(1-methyl-2H-pyridin-1-ium-2-id-3-yl)carbazole
CID 162293459
2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 162274973
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-phenyl-10-(4-propan-2-yl-2-pyridinyl)indolo[3,2-b]indole
CID 169031337
4-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)phenoxy]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 140593854
5,8-dimethyl-3-[2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]pyrido[4,3-b]indole
CID 162475982
3,16-bis(2,6-dimethylphenyl)-9-[3-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 154610768
3-methyl-1-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-tetrazole
CID 162299889
3-[2,6-di(propan-2-yl)phenyl]-11-[(6-phenoxy-2-pyridinyl)oxy]imidazo[1,2-f]phenanthridine
CID 140593578
9-(2,3-dimethylimidazo[1,2-f]phenanthridin-11-yl)oxy-3,4-dimethyl-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 163465409
9-(4-tert-butyl-2-pyridinyl)-1-isocyano-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole
CID 155636278
3,5-dimethyl-4-[3-(3-methyl-2H-imidazol-1-yl)-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,2-oxazole
CID 140943650

Frequently Asked Questions

What is the IUPAC name of 3-methyl-11-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-f]phenanthridine?
The IUPAC name of 3-methyl-11-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-f]phenanthridine (CID 140593834) is 3-methyl-11-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-f]phenanthridine.
What is the SMILES notation for 3-methyl-11-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-f]phenanthridine?
The canonical SMILES for 3-methyl-11-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-f]phenanthridine is Cc1cnc2c3cc(Oc4cccc(N5C=CN(C)C5)c4)ccc3c3ccccc3n12.
What is the InChIKey of 3-methyl-11-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-f]phenanthridine?
The InChIKey is XYNWEYJQXLBUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O/c1-18-16-27-26-24-15-21(10-11-22(24)23-8-3-4-9-25(23)30(18)26)31-20-7-5-6-19(14-20)29-13-12-28(2)17-29/h3-16H,17H2,1-2H3.
What are the key properties of 3-methyl-11-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-f]phenanthridine?
3-methyl-11-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-f]phenanthridine has a molecular weight of 406.49 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-11-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-f]phenanthridine is sourced from PubChem (CID 140593834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).