2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline

C17H10N4S — CID 46206870

IUPAC2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESc1csc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
InChIInChI=1S/C17H10N4S/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)
InChIKeyMMKDCKFENYAPKS-UHFFFAOYSA-N
MW302.36 g/mol
LogP4.39
Rot. Bonds1

About 2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline

2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 46206870) has the molecular formula C17H10N4S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID46206870
Molecular FormulaC17H10N4S
Molecular Weight302.36 g/mol
Exact Mass302.06
IUPAC Name2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESc1csc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
InChIInChI=1S/C17H10N4S/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)
InChIKeyMMKDCKFENYAPKS-UHFFFAOYSA-N
XLogP4.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 54.39
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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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline (CID 46206870) is 2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline is c1csc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.
What is the InChIKey of 2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is MMKDCKFENYAPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4S/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-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline?
2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 302.36 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 46206870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).