difluoro-(2-quinolin-8-ylbenzimidazol-1-yl)borane

C16H10BF2N3 — CID 132535146

IUPACdifluoro-(2-quinolin-8-ylbenzimidazol-1-yl)borane
SMILESFB(F)n1c(-c2cccc3cccnc23)nc2ccccc21
InChIInChI=1S/C16H10BF2N3/c18-17(19)22-14-9-2-1-8-13(14)21-16(22)12-7-3-5-11-6-4-10-20-15(11)12/h1-10H
InChIKeyRPIBEBKMLXVIIK-UHFFFAOYSA-N
MW293.09 g/mol
LogP4.02
Rot. Bonds2

About difluoro-(2-quinolin-8-ylbenzimidazol-1-yl)borane

difluoro-(2-quinolin-8-ylbenzimidazol-1-yl)borane (PubChem CID 132535146) has the molecular formula C16H10BF2N3 and a molecular weight of 293.09 g/mol. Its IUPAC name is difluoro-(2-quinolin-8-ylbenzimidazol-1-yl)borane.

Molecular Properties

Compound Namedifluoro-(2-quinolin-8-ylbenzimidazol-1-yl)borane
PubChem CID132535146
Molecular FormulaC16H10BF2N3
Molecular Weight293.09 g/mol
Exact Mass293.09
IUPAC Namedifluoro-(2-quinolin-8-ylbenzimidazol-1-yl)borane
SMILESFB(F)n1c(-c2cccc3cccnc23)nc2ccccc21
InChIInChI=1S/C16H10BF2N3/c18-17(19)22-14-9-2-1-8-13(14)21-16(22)12-7-3-5-11-6-4-10-20-15(11)12/h1-10H
InChIKeyRPIBEBKMLXVIIK-UHFFFAOYSA-N
XLogP4.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.09
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(1-phenylbenzimidazol-2-yl)quinoline
CID 23527786
2-(2-quinolin-8-ylbenzimidazol-1-yl)acetic acid
CID 42634637
dichloroplatinum;(2-quinolin-8-ylbenzimidazol-1-yl)methyl formate
CID 58251826
carbanide;8-(1-propylbenzimidazol-2-yl)quinoline;trichloroplatinum
CID 58251767
dichloroplatinum;8-[1-(3-methylbutyl)benzimidazol-2-yl]quinoline
CID 58251814
carbanide;1-(4-fluorophenyl)-4-(2-quinolin-8-ylbenzimidazol-1-yl)butan-1-one;trichloroplatinum
CID 58251828
9-[4-(1-quinolin-8-ylbenzimidazol-2-yl)phenyl]carbazole
CID 21356976
8-pyridin-2-ylquinoline
CID 10982041
5-(dimethylamino)-N-[2-(2-quinolin-8-ylbenzimidazol-1-yl)ethyl]naphthalene-1-sulfonamide
CID 42634812
8-(1-methylbenzimidazol-2-yl)-6-[9-[8-(1-methylbenzimidazol-2-yl)quinolin-6-yl]fluoren-9-yl]quinoline
CID 153429211
5,8-bis[4-(2-naphthalen-1-ylbenzimidazol-1-yl)phenyl]quinoline
CID 138705133
mercury;8-phenylquinoline;hydrate
CID 174770535

Frequently Asked Questions

What is the IUPAC name of difluoro-(2-quinolin-8-ylbenzimidazol-1-yl)borane?
The IUPAC name of difluoro-(2-quinolin-8-ylbenzimidazol-1-yl)borane (CID 132535146) is difluoro-(2-quinolin-8-ylbenzimidazol-1-yl)borane.
What is the SMILES notation for difluoro-(2-quinolin-8-ylbenzimidazol-1-yl)borane?
The canonical SMILES for difluoro-(2-quinolin-8-ylbenzimidazol-1-yl)borane is FB(F)n1c(-c2cccc3cccnc23)nc2ccccc21.
What is the InChIKey of difluoro-(2-quinolin-8-ylbenzimidazol-1-yl)borane?
The InChIKey is RPIBEBKMLXVIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BF2N3/c18-17(19)22-14-9-2-1-8-13(14)21-16(22)12-7-3-5-11-6-4-10-20-15(11)12/h1-10H.
What are the key properties of difluoro-(2-quinolin-8-ylbenzimidazol-1-yl)borane?
difluoro-(2-quinolin-8-ylbenzimidazol-1-yl)borane has a molecular weight of 293.09 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-(2-quinolin-8-ylbenzimidazol-1-yl)borane is sourced from PubChem (CID 132535146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).