1,7-bis(5-phenylselanylpentyl)imidazo[4,5-f]benzimidazole

C30H34N4Se2 — CID 46862313

IUPAC1,7-bis(5-phenylselanylpentyl)imidazo[4,5-f]benzimidazole
SMILESc1ccc([Se]CCCCCn2cnc3cc4ncn(CCCCC[Se]c5ccccc5)c4cc32)cc1
InChIInChI=1S/C30H34N4Se2/c1-5-13-25(14-6-1)35-19-11-3-9-17-33-23-31-27-21-28-30(22-29(27)33)34(24-32-28)18-10-4-12-20-36-26-15-7-2-8-16-26/h1-2,5-8,13-16,21-24H,3-4,9-12,17-20H2
InChIKeyRZUAGTQUVSQQII-UHFFFAOYSA-N
MW608.55 g/mol
LogP5.62
Rot. Bonds14

About 1,7-bis(5-phenylselanylpentyl)imidazo[4,5-f]benzimidazole

1,7-bis(5-phenylselanylpentyl)imidazo[4,5-f]benzimidazole (PubChem CID 46862313) has the molecular formula C30H34N4Se2 and a molecular weight of 608.55 g/mol. Its IUPAC name is 1,7-bis(5-phenylselanylpentyl)imidazo[4,5-f]benzimidazole.

Molecular Properties

Compound Name1,7-bis(5-phenylselanylpentyl)imidazo[4,5-f]benzimidazole
PubChem CID46862313
Molecular FormulaC30H34N4Se2
Molecular Weight608.55 g/mol
Exact Mass610.11
IUPAC Name1,7-bis(5-phenylselanylpentyl)imidazo[4,5-f]benzimidazole
SMILESc1ccc([Se]CCCCCn2cnc3cc4ncn(CCCCC[Se]c5ccccc5)c4cc32)cc1
InChIInChI=1S/C30H34N4Se2/c1-5-13-25(14-6-1)35-19-11-3-9-17-33-23-31-27-21-28-30(22-29(27)33)34(24-32-28)18-10-4-12-20-36-26-15-7-2-8-16-26/h1-2,5-8,13-16,21-24H,3-4,9-12,17-20H2
InChIKeyRZUAGTQUVSQQII-UHFFFAOYSA-N
XLogP5.62
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.55
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,7-bis(5-phenylselanylpentyl)imidazo[4,5-f]benzimidazole?
The IUPAC name of 1,7-bis(5-phenylselanylpentyl)imidazo[4,5-f]benzimidazole (CID 46862313) is 1,7-bis(5-phenylselanylpentyl)imidazo[4,5-f]benzimidazole.
What is the SMILES notation for 1,7-bis(5-phenylselanylpentyl)imidazo[4,5-f]benzimidazole?
The canonical SMILES for 1,7-bis(5-phenylselanylpentyl)imidazo[4,5-f]benzimidazole is c1ccc([Se]CCCCCn2cnc3cc4ncn(CCCCC[Se]c5ccccc5)c4cc32)cc1.
What is the InChIKey of 1,7-bis(5-phenylselanylpentyl)imidazo[4,5-f]benzimidazole?
The InChIKey is RZUAGTQUVSQQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4Se2/c1-5-13-25(14-6-1)35-19-11-3-9-17-33-23-31-27-21-28-30(22-29(27)33)34(24-32-28)18-10-4-12-20-36-26-15-7-2-8-16-26/h1-2,5-8,13-16,21-24H,3-4,9-12,17-20H2.
What are the key properties of 1,7-bis(5-phenylselanylpentyl)imidazo[4,5-f]benzimidazole?
1,7-bis(5-phenylselanylpentyl)imidazo[4,5-f]benzimidazole has a molecular weight of 608.55 g/mol, XLogP of 5.62, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-bis(5-phenylselanylpentyl)imidazo[4,5-f]benzimidazole is sourced from PubChem (CID 46862313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).