6-(3-bromophenyl)-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole

C25H17BrN2Si — CID 171449969

IUPAC6-(3-bromophenyl)-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole
SMILESBrc1cccc([Si]2(c3ccccc3)c3ccccc3-c3nc4ccccc4n32)c1
InChIInChI=1S/C25H17BrN2Si/c26-18-9-8-12-20(17-18)29(19-10-2-1-3-11-19)24-16-7-4-13-21(24)25-27-22-14-5-6-15-23(22)28(25)29/h1-17H
InChIKeyCOLZXFUOBZPWFT-UHFFFAOYSA-N
MW453.42 g/mol
LogP4.29
Rot. Bonds2

About 6-(3-bromophenyl)-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole

6-(3-bromophenyl)-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole (PubChem CID 171449969) has the molecular formula C25H17BrN2Si and a molecular weight of 453.42 g/mol. Its IUPAC name is 6-(3-bromophenyl)-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole.

Molecular Properties

Compound Name6-(3-bromophenyl)-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole
PubChem CID171449969
Molecular FormulaC25H17BrN2Si
Molecular Weight453.42 g/mol
Exact Mass452.03
IUPAC Name6-(3-bromophenyl)-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole
SMILESBrc1cccc([Si]2(c3ccccc3)c3ccccc3-c3nc4ccccc4n32)c1
InChIInChI=1S/C25H17BrN2Si/c26-18-9-8-12-20(17-18)29(19-10-2-1-3-11-19)24-16-7-4-13-21(24)25-27-22-14-5-6-15-23(22)28(25)29/h1-17H
InChIKeyCOLZXFUOBZPWFT-UHFFFAOYSA-N
XLogP4.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.42
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[3-[4,6-bis(2-phenylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]phenyl]-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole
CID 171449993
2-[3-[6-[3-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazolo[1,2-b][2,1]benzazasilol-6-yl]phenyl]-1,3-benzoxazole
CID 171449921
9-(2,6-dipyridin-2-yl-4-pyridinyl)-6,6-diphenylbenzimidazolo[1,2-b][2,1]benzazasilole
CID 171449999
1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole
CID 17000494
2-[11,11-diphenyl-4-(1-phenylbenzimidazol-2-yl)benzo[b][1]benzosilepin-7-yl]-1-phenylbenzimidazole
CID 155647150
2-(3-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole
CID 4624826
2-(4-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole
CID 17001152
8,8'-spirobi[15,22-diaza-8-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene]
CID 162503288
2-benzhydryl-1-[(3-bromophenyl)methyl]benzimidazole
CID 16987217
1-[4-bromo-2-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole
CID 141480526
2-bromoindolo[1,2-a]benzimidazol-11-one
CID 146638668
1-[4,5-bis(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole
CID 159989669

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole?
The IUPAC name of 6-(3-bromophenyl)-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole (CID 171449969) is 6-(3-bromophenyl)-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole.
What is the SMILES notation for 6-(3-bromophenyl)-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole?
The canonical SMILES for 6-(3-bromophenyl)-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole is Brc1cccc([Si]2(c3ccccc3)c3ccccc3-c3nc4ccccc4n32)c1.
What is the InChIKey of 6-(3-bromophenyl)-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole?
The InChIKey is COLZXFUOBZPWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrN2Si/c26-18-9-8-12-20(17-18)29(19-10-2-1-3-11-19)24-16-7-4-13-21(24)25-27-22-14-5-6-15-23(22)28(25)29/h1-17H.
What are the key properties of 6-(3-bromophenyl)-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole?
6-(3-bromophenyl)-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole has a molecular weight of 453.42 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole is sourced from PubChem (CID 171449969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).