2-(benzimidazol-1-yl)-1,10-phenanthroline

C19H12N4 — CID 90688679

IUPAC2-(benzimidazol-1-yl)-1,10-phenanthroline
SMILESc1cnc2c(c1)ccc1ccc(-n3cnc4ccccc43)nc12
InChIInChI=1S/C19H12N4/c1-2-6-16-15(5-1)21-12-23(16)17-10-9-14-8-7-13-4-3-11-20-18(13)19(14)22-17/h1-12H
InChIKeyBZNIXGZLQGLHTJ-UHFFFAOYSA-N
MW296.33 g/mol
LogP4.12
Rot. Bonds1

About 2-(benzimidazol-1-yl)-1,10-phenanthroline

2-(benzimidazol-1-yl)-1,10-phenanthroline (PubChem CID 90688679) has the molecular formula C19H12N4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1,10-phenanthroline
PubChem CID90688679
Molecular FormulaC19H12N4
Molecular Weight296.33 g/mol
Exact Mass296.11
IUPAC Name2-(benzimidazol-1-yl)-1,10-phenanthroline
SMILESc1cnc2c(c1)ccc1ccc(-n3cnc4ccccc43)nc12
InChIInChI=1S/C19H12N4/c1-2-6-16-15(5-1)21-12-23(16)17-10-9-14-8-7-13-4-3-11-20-18(13)19(14)22-17/h1-12H
InChIKeyBZNIXGZLQGLHTJ-UHFFFAOYSA-N
XLogP4.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 54.12
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

1-[2-(benzimidazol-1-yl)quinolin-8-yl]ethanone
CID 21020290
1-(2-methylpyrimidin-4-yl)benzimidazole
CID 112695167
2-(triazol-2-yl)-1,10-phenanthroline
CID 70653379
2-(1-phenylbenzimidazol-5-yl)-1,10-phenanthroline
CID 156575569
2-(1,2,4-triazol-1-yl)-1,10-phenanthroline
CID 91056975
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
bis(1,10-phenanthroline);ruthenium
CID 15001085

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1,10-phenanthroline?
The IUPAC name of 2-(benzimidazol-1-yl)-1,10-phenanthroline (CID 90688679) is 2-(benzimidazol-1-yl)-1,10-phenanthroline.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1,10-phenanthroline?
The canonical SMILES for 2-(benzimidazol-1-yl)-1,10-phenanthroline is c1cnc2c(c1)ccc1ccc(-n3cnc4ccccc43)nc12.
What is the InChIKey of 2-(benzimidazol-1-yl)-1,10-phenanthroline?
The InChIKey is BZNIXGZLQGLHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4/c1-2-6-16-15(5-1)21-12-23(16)17-10-9-14-8-7-13-4-3-11-20-18(13)19(14)22-17/h1-12H.
What are the key properties of 2-(benzimidazol-1-yl)-1,10-phenanthroline?
2-(benzimidazol-1-yl)-1,10-phenanthroline has a molecular weight of 296.33 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1,10-phenanthroline is sourced from PubChem (CID 90688679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).