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

C21H13N5 — CID 141245187

IUPAC2-(1H-indol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESc1cnc2c(c1)c1nc(-c3ccc4[nH]ccc4c3)[nH]c1c1cccnc12
InChIInChI=1S/C21H13N5/c1-3-14-17(23-8-1)18-15(4-2-9-24-18)20-19(14)25-21(26-20)13-5-6-16-12(11-13)7-10-22-16/h1-11,22H,(H,25,26)
InChIKeyDQFFFABLBLGTSH-UHFFFAOYSA-N
MW335.37 g/mol
LogP4.81
Rot. Bonds1

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

2-(1H-indol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 141245187) has the molecular formula C21H13N5 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-(1H-indol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-(1H-indol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID141245187
Molecular FormulaC21H13N5
Molecular Weight335.37 g/mol
Exact Mass335.12
IUPAC Name2-(1H-indol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESc1cnc2c(c1)c1nc(-c3ccc4[nH]ccc4c3)[nH]c1c1cccnc12
InChIInChI=1S/C21H13N5/c1-3-14-17(23-8-1)18-15(4-2-9-24-18)20-19(14)25-21(26-20)13-5-6-16-12(11-13)7-10-22-16/h1-11,22H,(H,25,26)
InChIKeyDQFFFABLBLGTSH-UHFFFAOYSA-N
XLogP4.81
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 54.81
H-Bond Donors ≤ 52
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-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 15376894
2-(3,5-difluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 102048569
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzonitrile
CID 46865047
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid
CID 46865048
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2,6-dimethoxyphenol
CID 136776464
2-(2-ethynylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 166691371
bis(europium(3+));bis(2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline);hexaacetate
CID 139203985
methyl 4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoate
CID 102508548
2-[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]-N,N-dimethylethanamine
CID 71533939
2-[2-[4-(1H-phenanthro[9,10-d]imidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1H-phenanthro[9,10-d]imidazole
CID 102489303
2-(5-ethenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 89277515
2-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]-1H-phenanthro[9,10-d]imidazole
CID 3122497

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 2-(1H-indol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (CID 141245187) is 2-(1H-indol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 2-(1H-indol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 2-(1H-indol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline is c1cnc2c(c1)c1nc(-c3ccc4[nH]ccc4c3)[nH]c1c1cccnc12.
What is the InChIKey of 2-(1H-indol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is DQFFFABLBLGTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N5/c1-3-14-17(23-8-1)18-15(4-2-9-24-18)20-19(14)25-21(26-20)13-5-6-16-12(11-13)7-10-22-16/h1-11,22H,(H,25,26).
What are the key properties of 2-(1H-indol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
2-(1H-indol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 335.37 g/mol, XLogP of 4.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 141245187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).