2-phenanthren-9-yl-1H-benzimidazole

C21H14N2 — CID 102492769

IUPAC2-phenanthren-9-yl-1H-benzimidazole
SMILESc1ccc2c(c1)cc(-c1nc3ccccc3[nH]1)c1ccccc12
InChIInChI=1S/C21H14N2/c1-2-8-15-14(7-1)13-18(17-10-4-3-9-16(15)17)21-22-19-11-5-6-12-20(19)23-21/h1-13H,(H,22,23)
InChIKeyPBUPQLLQMSTIJZ-UHFFFAOYSA-N
MW294.36 g/mol
LogP5.54
Rot. Bonds1

About 2-phenanthren-9-yl-1H-benzimidazole

2-phenanthren-9-yl-1H-benzimidazole (PubChem CID 102492769) has the molecular formula C21H14N2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-phenanthren-9-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-phenanthren-9-yl-1H-benzimidazole
PubChem CID102492769
Molecular FormulaC21H14N2
Molecular Weight294.36 g/mol
Exact Mass294.12
IUPAC Name2-phenanthren-9-yl-1H-benzimidazole
SMILESc1ccc2c(c1)cc(-c1nc3ccccc3[nH]1)c1ccccc12
InChIInChI=1S/C21H14N2/c1-2-8-15-14(7-1)13-18(17-10-4-3-9-16(15)17)21-22-19-11-5-6-12-20(19)23-21/h1-13H,(H,22,23)
InChIKeyPBUPQLLQMSTIJZ-UHFFFAOYSA-N
XLogP5.54
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.36
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1-bromonaphthalen-2-yl)-1H-benzimidazole
CID 101479527
2-(3,5-dimethoxynaphthalen-2-yl)-1H-benzimidazole
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2-[1-(1H-benzimidazol-2-yl)perylen-2-yl]-1H-benzimidazole
CID 23367558
CID 20700346
CID 20700346
2-(1H-indol-3-yl)-1H-benzimidazole;hydroiodide
CID 146120911
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671
2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole
CID 168554186
2-phenanthren-9-yl-4,5-diphenyl-1H-imidazole
CID 54520537
bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
CID 139068471
copper bis(2-(1H-benzimidazol-2-yl)phenolate)
CID 134105250
3-(1H-benzimidazol-2-yl)-1,8-naphthyridin-2-amine
CID 13479171
[2-(1H-benzimidazol-2-yl)benzo[f]chromen-3-ylidene]azanium perchlorate
CID 2834928

Frequently Asked Questions

What is the IUPAC name of 2-phenanthren-9-yl-1H-benzimidazole?
The IUPAC name of 2-phenanthren-9-yl-1H-benzimidazole (CID 102492769) is 2-phenanthren-9-yl-1H-benzimidazole.
What is the SMILES notation for 2-phenanthren-9-yl-1H-benzimidazole?
The canonical SMILES for 2-phenanthren-9-yl-1H-benzimidazole is c1ccc2c(c1)cc(-c1nc3ccccc3[nH]1)c1ccccc12.
What is the InChIKey of 2-phenanthren-9-yl-1H-benzimidazole?
The InChIKey is PBUPQLLQMSTIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2/c1-2-8-15-14(7-1)13-18(17-10-4-3-9-16(15)17)21-22-19-11-5-6-12-20(19)23-21/h1-13H,(H,22,23).
What are the key properties of 2-phenanthren-9-yl-1H-benzimidazole?
2-phenanthren-9-yl-1H-benzimidazole has a molecular weight of 294.36 g/mol, XLogP of 5.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthren-9-yl-1H-benzimidazole is sourced from PubChem (CID 102492769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).