2-(5,5,6,6,7,7,8,8-octafluoronaphthalen-2-yl)-1-phenylbenzimidazole

C23H12F8N2 — CID 165383810

IUPAC2-(5,5,6,6,7,7,8,8-octafluoronaphthalen-2-yl)-1-phenylbenzimidazole
SMILESFC1(F)c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C23H12F8N2/c24-20(25)15-11-10-13(12-16(15)21(26,27)23(30,31)22(20,28)29)19-32-17-8-4-5-9-18(17)33(19)14-6-2-1-3-7-14/h1-12H
InChIKeySQQVXAUVPGAUAY-UHFFFAOYSA-N
MW468.35 g/mol
LogP7.16
Rot. Bonds2

About 2-(5,5,6,6,7,7,8,8-octafluoronaphthalen-2-yl)-1-phenylbenzimidazole

2-(5,5,6,6,7,7,8,8-octafluoronaphthalen-2-yl)-1-phenylbenzimidazole (PubChem CID 165383810) has the molecular formula C23H12F8N2 and a molecular weight of 468.35 g/mol. Its IUPAC name is 2-(5,5,6,6,7,7,8,8-octafluoronaphthalen-2-yl)-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-(5,5,6,6,7,7,8,8-octafluoronaphthalen-2-yl)-1-phenylbenzimidazole
PubChem CID165383810
Molecular FormulaC23H12F8N2
Molecular Weight468.35 g/mol
Exact Mass468.09
IUPAC Name2-(5,5,6,6,7,7,8,8-octafluoronaphthalen-2-yl)-1-phenylbenzimidazole
SMILESFC1(F)c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C23H12F8N2/c24-20(25)15-11-10-13(12-16(15)21(26,27)23(30,31)22(20,28)29)19-32-17-8-4-5-9-18(17)33(19)14-6-2-1-3-7-14/h1-12H
InChIKeySQQVXAUVPGAUAY-UHFFFAOYSA-N
XLogP7.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.35
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5,5,6,6,7,7,8,8-octafluoronaphthalen-2-yl)-1-phenylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 141061579
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)-1-phenylbenzimidazole
CID 146495261
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-1-phenylbenzimidazole
CID 118472824
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole
CID 141099436
1,2-diphenylbenzimidazole;ethane;iridium;propane
CID 142394497
2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole
CID 58526346

Frequently Asked Questions

What is the IUPAC name of 2-(5,5,6,6,7,7,8,8-octafluoronaphthalen-2-yl)-1-phenylbenzimidazole?
The IUPAC name of 2-(5,5,6,6,7,7,8,8-octafluoronaphthalen-2-yl)-1-phenylbenzimidazole (CID 165383810) is 2-(5,5,6,6,7,7,8,8-octafluoronaphthalen-2-yl)-1-phenylbenzimidazole.
What is the SMILES notation for 2-(5,5,6,6,7,7,8,8-octafluoronaphthalen-2-yl)-1-phenylbenzimidazole?
The canonical SMILES for 2-(5,5,6,6,7,7,8,8-octafluoronaphthalen-2-yl)-1-phenylbenzimidazole is FC1(F)c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2-(5,5,6,6,7,7,8,8-octafluoronaphthalen-2-yl)-1-phenylbenzimidazole?
The InChIKey is SQQVXAUVPGAUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12F8N2/c24-20(25)15-11-10-13(12-16(15)21(26,27)23(30,31)22(20,28)29)19-32-17-8-4-5-9-18(17)33(19)14-6-2-1-3-7-14/h1-12H.
What are the key properties of 2-(5,5,6,6,7,7,8,8-octafluoronaphthalen-2-yl)-1-phenylbenzimidazole?
2-(5,5,6,6,7,7,8,8-octafluoronaphthalen-2-yl)-1-phenylbenzimidazole has a molecular weight of 468.35 g/mol, XLogP of 7.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5,6,6,7,7,8,8-octafluoronaphthalen-2-yl)-1-phenylbenzimidazole is sourced from PubChem (CID 165383810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).