1-iodo-2-phenyl-[1,3]selenazolo[3,2-a]benzimidazole

C15H9IN2Se — CID 71663104

IUPAC1-iodo-2-phenyl-[1,3]selenazolo[3,2-a]benzimidazole
SMILESIc1c(-c2ccccc2)[se]c2nc3ccccc3n12
InChIInChI=1S/C15H9IN2Se/c16-14-13(10-6-2-1-3-7-10)19-15-17-11-8-4-5-9-12(11)18(14)15/h1-9H
InChIKeySSXRTOSRWBYKDF-UHFFFAOYSA-N
MW423.12 g/mol
LogP3.82
Rot. Bonds1

About 1-iodo-2-phenyl-[1,3]selenazolo[3,2-a]benzimidazole

1-iodo-2-phenyl-[1,3]selenazolo[3,2-a]benzimidazole (PubChem CID 71663104) has the molecular formula C15H9IN2Se and a molecular weight of 423.12 g/mol. Its IUPAC name is 1-iodo-2-phenyl-[1,3]selenazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name1-iodo-2-phenyl-[1,3]selenazolo[3,2-a]benzimidazole
PubChem CID71663104
Molecular FormulaC15H9IN2Se
Molecular Weight423.12 g/mol
Exact Mass423.90
IUPAC Name1-iodo-2-phenyl-[1,3]selenazolo[3,2-a]benzimidazole
SMILESIc1c(-c2ccccc2)[se]c2nc3ccccc3n12
InChIInChI=1S/C15H9IN2Se/c16-14-13(10-6-2-1-3-7-10)19-15-17-11-8-4-5-9-12(11)18(14)15/h1-9H
InChIKeySSXRTOSRWBYKDF-UHFFFAOYSA-N
XLogP3.82
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.12
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,6-triphenylimidazo[2,1-b][1,3]selenazole
CID 14721958
5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 170284536
10-(10-phenylanthracen-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58037532
10-(11-phenyltetracen-5-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58037765
13-phenyl-3,10,23,30-tetrazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17,19,21,24,26,28-tetradecaene
CID 138474670
4-(4-fluorophenyl)-2-phenylpyrimido[1,2-a]benzimidazole
CID 132502018
2-(9,10-diphenylanthracen-2-yl)-6-methylbenzimidazolo[1,2-c]quinazoline
CID 129257054
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 70807705
2,3-dimethyl-1-phenylimidazo[1,2-a]benzimidazole
CID 158748738
5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140947989
3-(2,6-diphenylpyrimidin-4-yl)-6-phenylbenzimidazolo[1,2-a]quinoline
CID 164762547
4-[4-(4-phenylphenyl)phenyl]-5,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 58038243

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-phenyl-[1,3]selenazolo[3,2-a]benzimidazole?
The IUPAC name of 1-iodo-2-phenyl-[1,3]selenazolo[3,2-a]benzimidazole (CID 71663104) is 1-iodo-2-phenyl-[1,3]selenazolo[3,2-a]benzimidazole.
What is the SMILES notation for 1-iodo-2-phenyl-[1,3]selenazolo[3,2-a]benzimidazole?
The canonical SMILES for 1-iodo-2-phenyl-[1,3]selenazolo[3,2-a]benzimidazole is Ic1c(-c2ccccc2)[se]c2nc3ccccc3n12.
What is the InChIKey of 1-iodo-2-phenyl-[1,3]selenazolo[3,2-a]benzimidazole?
The InChIKey is SSXRTOSRWBYKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9IN2Se/c16-14-13(10-6-2-1-3-7-10)19-15-17-11-8-4-5-9-12(11)18(14)15/h1-9H.
What are the key properties of 1-iodo-2-phenyl-[1,3]selenazolo[3,2-a]benzimidazole?
1-iodo-2-phenyl-[1,3]selenazolo[3,2-a]benzimidazole has a molecular weight of 423.12 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-phenyl-[1,3]selenazolo[3,2-a]benzimidazole is sourced from PubChem (CID 71663104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).