2-methyl-9-(5-methylfuran-2-yl)imidazo[1,2-f]phenanthridine

C21H16N2O — CID 59358545

IUPAC2-methyl-9-(5-methylfuran-2-yl)imidazo[1,2-f]phenanthridine
SMILESCc1cn2c3ccccc3c3c(-c4ccc(C)o4)cccc3c2n1
InChIInChI=1S/C21H16N2O/c1-13-12-23-18-9-4-3-6-15(18)20-16(19-11-10-14(2)24-19)7-5-8-17(20)21(23)22-13/h3-12H,1-2H3
InChIKeyFRKJUEJBVDBTNZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP5.52
Rot. Bonds1

About 2-methyl-9-(5-methylfuran-2-yl)imidazo[1,2-f]phenanthridine

2-methyl-9-(5-methylfuran-2-yl)imidazo[1,2-f]phenanthridine (PubChem CID 59358545) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-methyl-9-(5-methylfuran-2-yl)imidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name2-methyl-9-(5-methylfuran-2-yl)imidazo[1,2-f]phenanthridine
PubChem CID59358545
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name2-methyl-9-(5-methylfuran-2-yl)imidazo[1,2-f]phenanthridine
SMILESCc1cn2c3ccccc3c3c(-c4ccc(C)o4)cccc3c2n1
InChIInChI=1S/C21H16N2O/c1-13-12-23-18-9-4-3-6-15(18)20-16(19-11-10-14(2)24-19)7-5-8-17(20)21(23)22-13/h3-12H,1-2H3
InChIKeyFRKJUEJBVDBTNZ-UHFFFAOYSA-N
XLogP5.52
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.37
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethylimidazo[2,1-a]isoquinoline
CID 15103602
9-(5-methylfuran-2-yl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-19-one
CID 8016477
2,5-bis(benzimidazolo[2,1-a]isoquinolin-5-yl)-1,3,4-oxadiazole
CID 90086769
9-(2,6-dimethylphenyl)-3-methylimidazo[1,2-f]phenanthridine
CID 59359175
9-phenylimidazo[1,2-f]phenanthridine
CID 59358454
2-(2,3-difluorophenyl)-5-methylfuran
CID 123606724
9-(2-methylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 163424071
10-methyl-4-[2-(10-methyl-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene
CID 140693827
2,5,7-trimethylimidazo[1,2-f]phenanthridine
CID 59358884
N-[2-(5-methylfuran-2-yl)phenyl]acetamide
CID 646782
N-[2-(5-methylfuran-2-yl)phenyl]formamide
CID 168653920
imidazo[1,2-f]phenanthridin-2-yl(trimethyl)azanium
CID 58162682

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-(5-methylfuran-2-yl)imidazo[1,2-f]phenanthridine?
The IUPAC name of 2-methyl-9-(5-methylfuran-2-yl)imidazo[1,2-f]phenanthridine (CID 59358545) is 2-methyl-9-(5-methylfuran-2-yl)imidazo[1,2-f]phenanthridine.
What is the SMILES notation for 2-methyl-9-(5-methylfuran-2-yl)imidazo[1,2-f]phenanthridine?
The canonical SMILES for 2-methyl-9-(5-methylfuran-2-yl)imidazo[1,2-f]phenanthridine is Cc1cn2c3ccccc3c3c(-c4ccc(C)o4)cccc3c2n1.
What is the InChIKey of 2-methyl-9-(5-methylfuran-2-yl)imidazo[1,2-f]phenanthridine?
The InChIKey is FRKJUEJBVDBTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c1-13-12-23-18-9-4-3-6-15(18)20-16(19-11-10-14(2)24-19)7-5-8-17(20)21(23)22-13/h3-12H,1-2H3.
What are the key properties of 2-methyl-9-(5-methylfuran-2-yl)imidazo[1,2-f]phenanthridine?
2-methyl-9-(5-methylfuran-2-yl)imidazo[1,2-f]phenanthridine has a molecular weight of 312.37 g/mol, XLogP of 5.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-(5-methylfuran-2-yl)imidazo[1,2-f]phenanthridine is sourced from PubChem (CID 59358545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).