2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-iodobenzimidazolo[1,2-a]benzimidazole

C26H15IN6 — CID 134409735

IUPAC2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-iodobenzimidazolo[1,2-a]benzimidazole
SMILESIn1c2ccc(-n3c4ccccc4n4c5ccccc5nc34)cc2n2c3ccccc3nc12
InChIInChI=1S/C26H15IN6/c27-33-23-14-13-16(15-24(23)32-20-10-4-2-8-18(20)29-26(32)33)30-21-11-5-6-12-22(21)31-19-9-3-1-7-17(19)28-25(30)31/h1-15H
InChIKeyMMZNQXVSSYNOFN-UHFFFAOYSA-N
MW538.35 g/mol
LogP6.39
Rot. Bonds1

About 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-iodobenzimidazolo[1,2-a]benzimidazole

2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-iodobenzimidazolo[1,2-a]benzimidazole (PubChem CID 134409735) has the molecular formula C26H15IN6 and a molecular weight of 538.35 g/mol. Its IUPAC name is 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-iodobenzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-iodobenzimidazolo[1,2-a]benzimidazole
PubChem CID134409735
Molecular FormulaC26H15IN6
Molecular Weight538.35 g/mol
Exact Mass538.04
IUPAC Name2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-iodobenzimidazolo[1,2-a]benzimidazole
SMILESIn1c2ccc(-n3c4ccccc4n4c5ccccc5nc34)cc2n2c3ccccc3nc12
InChIInChI=1S/C26H15IN6/c27-33-23-14-13-16(15-24(23)32-20-10-4-2-8-18(20)29-26(32)33)30-21-11-5-6-12-22(21)31-19-9-3-1-7-17(19)28-25(30)31/h1-15H
InChIKeyMMZNQXVSSYNOFN-UHFFFAOYSA-N
XLogP6.39
TPSA44.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.35
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546209
[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]phenyl]-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462949
12,27-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-8,15,23,30-tetrazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(30),2,4,6,9(14),10,12,15,17,19,21,24(29),25,27-tetradecaene
CID 130450199
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
5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole
CID 118429566
5-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189
5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 170284536
2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-[3-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-phenyl-2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;9-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 159288172
2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole
CID 121420268
bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462912
5-[10-(4,6-diphenylpyrimidin-2-yl)indolo[1,2-a]benzimidazol-7-yl]benzimidazolo[1,2-a]benzimidazole
CID 139407569
4-carbazol-9-yl-17-(8-carbazol-9-yldibenzothiophen-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546124

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-iodobenzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-iodobenzimidazolo[1,2-a]benzimidazole (CID 134409735) is 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-iodobenzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-iodobenzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-iodobenzimidazolo[1,2-a]benzimidazole is In1c2ccc(-n3c4ccccc4n4c5ccccc5nc34)cc2n2c3ccccc3nc12.
What is the InChIKey of 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-iodobenzimidazolo[1,2-a]benzimidazole?
The InChIKey is MMZNQXVSSYNOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15IN6/c27-33-23-14-13-16(15-24(23)32-20-10-4-2-8-18(20)29-26(32)33)30-21-11-5-6-12-22(21)31-19-9-3-1-7-17(19)28-25(30)31/h1-15H.
What are the key properties of 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-iodobenzimidazolo[1,2-a]benzimidazole?
2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-iodobenzimidazolo[1,2-a]benzimidazole has a molecular weight of 538.35 g/mol, XLogP of 6.39, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-iodobenzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 134409735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).