2-(5-nitrofuran-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline

C17H9N5O3 — CID 90915882

IUPAC2-(5-nitrofuran-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESO=[N+]([O-])c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)o1
InChIInChI=1S/C17H9N5O3/c23-22(24)12-6-5-11(25-12)17-20-15-9-3-1-7-18-13(9)14-10(16(15)21-17)4-2-8-19-14/h1-8H,(H,20,21)
InChIKeyRJEAUANTEVMWDX-UHFFFAOYSA-N
MW331.29 g/mol
LogP3.83
Rot. Bonds2

About 2-(5-nitrofuran-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline

2-(5-nitrofuran-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 90915882) has the molecular formula C17H9N5O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is 2-(5-nitrofuran-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-(5-nitrofuran-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID90915882
Molecular FormulaC17H9N5O3
Molecular Weight331.29 g/mol
Exact Mass331.07
IUPAC Name2-(5-nitrofuran-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESO=[N+]([O-])c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)o1
InChIInChI=1S/C17H9N5O3/c23-22(24)12-6-5-11(25-12)17-20-15-9-3-1-7-18-13(9)14-10(16(15)21-17)4-2-8-19-14/h1-8H,(H,20,21)
InChIKeyRJEAUANTEVMWDX-UHFFFAOYSA-N
XLogP3.83
TPSA110.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.83
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(aminomethyl)-2-furyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 53323181
2-[2-(3-Methylimidazo[4,5-f]quinolin-2-yl)ethyl]-1,3-benzoxazole
CID 68103909
2-[5-(3-fluorophenyl)furan-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline
CID 176234778
2-(5-nitro-2-furyl)-1-(2-phenylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one
CID 72948312
1-(3,3-diphenylpropyl)-2-(5-nitro-2-furyl)-5H-imidazo[4,5-g]quinoxalin-6-one
CID 72948495
7-methyl-2-(5-nitro-2-furyl)-1-phenethyl-5H-imidazo[4,5-g]quinoxalin-6-one
CID 72948496
7-isopropyl-2-(5-nitro-2-furyl)-1-(3-phenylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one
CID 72948676
1-[2-(cyclohexen-1-yl)ethyl]-7-isobutyl-2-(5-nitro-2-furyl)-5H-imidazo[4,5-g]quinoxalin-6-one
CID 72948680
1-(1-benzyl-4-piperidyl)-7-isobutyl-2-(5-nitro-2-furyl)-5H-imidazo[4,5-g]quinoxalin-6-one
CID 72948857
1-benzyl-7-isobutyl-2-(5-nitro-2-furyl)-5H-imidazo[4,5-g]quinoxalin-6-one
CID 72948860
7-benzyl-2-(5-nitro-2-furyl)-1-nonyl-5H-imidazo[4,5-g]quinoxalin-6-one
CID 72949040
7-benzyl-1-[2-(cyclohexen-1-yl)ethyl]-2-(5-nitro-2-furyl)-5H-imidazo[4,5-g]quinoxalin-6-one
CID 72949041

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitrofuran-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 2-(5-nitrofuran-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (CID 90915882) is 2-(5-nitrofuran-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 2-(5-nitrofuran-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 2-(5-nitrofuran-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline is O=[N+]([O-])c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)o1.
What is the InChIKey of 2-(5-nitrofuran-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is RJEAUANTEVMWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9N5O3/c23-22(24)12-6-5-11(25-12)17-20-15-9-3-1-7-18-13(9)14-10(16(15)21-17)4-2-8-19-14/h1-8H,(H,20,21).
What are the key properties of 2-(5-nitrofuran-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
2-(5-nitrofuran-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 331.29 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitrofuran-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 90915882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).