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

C17H10N4O — CID 46866334

IUPAC2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESc1coc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
InChIInChI=1S/C17H10N4O/c1-4-10-13(18-7-1)14-11(5-2-8-19-14)16-15(10)20-17(21-16)12-6-3-9-22-12/h1-9H,(H,20,21)
InChIKeyINIWRQBVYVQRJZ-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.92
Rot. Bonds1

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

2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 46866334) has the molecular formula C17H10N4O and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID46866334
Molecular FormulaC17H10N4O
Molecular Weight286.29 g/mol
Exact Mass286.09
IUPAC Name2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESc1coc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
InChIInChI=1S/C17H10N4O/c1-4-10-13(18-7-1)14-11(5-2-8-19-14)16-15(10)20-17(21-16)12-6-3-9-22-12/h1-9H,(H,20,21)
InChIKeyINIWRQBVYVQRJZ-UHFFFAOYSA-N
XLogP3.92
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-{[3-(Aminomethyl)furan-2-yl]methyl}-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 53325426
7-[2-(Furan-2-yl)-5,6-dimethylbenzimidazol-1-yl]quinazoline-2,4-diamine
CID 67889361
Furodazole
CID 312914
6-(Furan-2-yl)-6,12-dihydrobenzimidazolo[1,2-c]quinazoline
CID 2998157
7-(furan-2-ylmethyl)-N-(3-imidazol-1-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 2930286
2-(2-furanylmethyl)-3-[[2-(3-pyridinyl)-3H-benzimidazol-5-yl]amino]-3H-isoindol-1-one
CID 5307293
Furan-2-ylmethyl-methyl-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-amine
CID 9905079
2-Furan-2-yl-5-(4-quinolin-3-ylmethyl-piperazin-1-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine
CID 11362353
2-Furan-2-yl-6-quinolin-8-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-ylamine
CID 11381852
2-Furan-2-yl-5-(4-quinolin-4-ylmethyl-piperazin-1-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine
CID 11475853
5-(2-furyl)-6-pyrimidin-4-yl-3H-imidazo[4,5-b]pyridine
CID 11952504
N-(furan-2-ylmethyl)-2-imidazol-1-ylquinazolin-4-amine;dihydrochloride
CID 19392231

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (CID 46866334) is 2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline is c1coc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.
What is the InChIKey of 2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is INIWRQBVYVQRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4O/c1-4-10-13(18-7-1)14-11(5-2-8-19-14)16-15(10)20-17(21-16)12-6-3-9-22-12/h1-9H,(H,20,21).
What are the key properties of 2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 286.29 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 46866334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).