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

C16H10N6 — CID 136842091

IUPAC2-(1H-imidazol-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESc1cnc2c(c1)c1nc(-c3ncc[nH]3)[nH]c1c1cccnc12
InChIInChI=1S/C16H10N6/c1-3-9-11(17-5-1)12-10(4-2-6-18-12)14-13(9)21-16(22-14)15-19-7-8-20-15/h1-8H,(H,19,20)(H,21,22)
InChIKeyDYKVQJUTQSCZNN-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.05
Rot. Bonds1

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

2-(1H-imidazol-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 136842091) has the molecular formula C16H10N6 and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID136842091
Molecular FormulaC16H10N6
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Name2-(1H-imidazol-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESc1cnc2c(c1)c1nc(-c3ncc[nH]3)[nH]c1c1cccnc12
InChIInChI=1S/C16H10N6/c1-3-9-11(17-5-1)12-10(4-2-6-18-12)14-13(9)21-16(22-14)15-19-7-8-20-15/h1-8H,(H,19,20)(H,21,22)
InChIKeyDYKVQJUTQSCZNN-UHFFFAOYSA-N
XLogP3.05
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 2-(1H-imidazol-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (CID 136842091) is 2-(1H-imidazol-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline is c1cnc2c(c1)c1nc(-c3ncc[nH]3)[nH]c1c1cccnc12.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is DYKVQJUTQSCZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N6/c1-3-9-11(17-5-1)12-10(4-2-6-18-12)14-13(9)21-16(22-14)15-19-7-8-20-15/h1-8H,(H,19,20)(H,21,22).
What are the key properties of 2-(1H-imidazol-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
2-(1H-imidazol-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 286.30 g/mol, XLogP of 3.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 136842091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).