2-(1-phenylbenzimidazol-5-yl)-1,10-phenanthroline

C25H16N4 — CID 156575569

IUPAC2-(1-phenylbenzimidazol-5-yl)-1,10-phenanthroline
SMILESc1ccc(-n2cnc3cc(-c4ccc5ccc6cccnc6c5n4)ccc32)cc1
InChIInChI=1S/C25H16N4/c1-2-6-20(7-3-1)29-16-27-22-15-19(11-13-23(22)29)21-12-10-18-9-8-17-5-4-14-26-24(17)25(18)28-21/h1-16H
InChIKeyVNGMSLCYESCIOO-UHFFFAOYSA-N
MW372.43 g/mol
LogP5.79
Rot. Bonds2

About 2-(1-phenylbenzimidazol-5-yl)-1,10-phenanthroline

2-(1-phenylbenzimidazol-5-yl)-1,10-phenanthroline (PubChem CID 156575569) has the molecular formula C25H16N4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-(1-phenylbenzimidazol-5-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(1-phenylbenzimidazol-5-yl)-1,10-phenanthroline
PubChem CID156575569
Molecular FormulaC25H16N4
Molecular Weight372.43 g/mol
Exact Mass372.14
IUPAC Name2-(1-phenylbenzimidazol-5-yl)-1,10-phenanthroline
SMILESc1ccc(-n2cnc3cc(-c4ccc5ccc6cccnc6c5n4)ccc32)cc1
InChIInChI=1S/C25H16N4/c1-2-6-20(7-3-1)29-16-27-22-15-19(11-13-23(22)29)21-12-10-18-9-8-17-5-4-14-26-24(17)25(18)28-21/h1-16H
InChIKeyVNGMSLCYESCIOO-UHFFFAOYSA-N
XLogP5.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.43
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[7-(2-phenylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 155023081
2-(3-phenylphenyl)-1,10-phenanthroline
CID 118188250
2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460929
2-(2-phenylbenzotriazol-5-yl)-9-pyridin-2-yl-1,10-phenanthroline
CID 176785251
2-[4-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]-1,10-phenanthroline
CID 118403847
5-(2-methylphenyl)-1-phenylbenzimidazole
CID 144976138
2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline
CID 146474012
2-(benzimidazol-1-yl)-1,10-phenanthroline
CID 90688679
2-[4-[7-(2-triphenylen-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164780738
2-[4-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 155023263
2-[6-[7-[2-(4,6-diphenylpyrimidin-2-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 164780822
2-[6-[7-(2-pyrimidin-2-ylquinolin-7-yl)quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 164780845

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylbenzimidazol-5-yl)-1,10-phenanthroline?
The IUPAC name of 2-(1-phenylbenzimidazol-5-yl)-1,10-phenanthroline (CID 156575569) is 2-(1-phenylbenzimidazol-5-yl)-1,10-phenanthroline.
What is the SMILES notation for 2-(1-phenylbenzimidazol-5-yl)-1,10-phenanthroline?
The canonical SMILES for 2-(1-phenylbenzimidazol-5-yl)-1,10-phenanthroline is c1ccc(-n2cnc3cc(-c4ccc5ccc6cccnc6c5n4)ccc32)cc1.
What is the InChIKey of 2-(1-phenylbenzimidazol-5-yl)-1,10-phenanthroline?
The InChIKey is VNGMSLCYESCIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N4/c1-2-6-20(7-3-1)29-16-27-22-15-19(11-13-23(22)29)21-12-10-18-9-8-17-5-4-14-26-24(17)25(18)28-21/h1-16H.
What are the key properties of 2-(1-phenylbenzimidazol-5-yl)-1,10-phenanthroline?
2-(1-phenylbenzimidazol-5-yl)-1,10-phenanthroline has a molecular weight of 372.43 g/mol, XLogP of 5.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylbenzimidazol-5-yl)-1,10-phenanthroline is sourced from PubChem (CID 156575569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).