6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-phenylbenzimidazol-2-amine

C28H19F2N5 — CID 11454030

IUPAC6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-phenylbenzimidazol-2-amine
SMILESNc1nc2ccc(-c3nc(-c4c(F)cccc4F)[nH]c3-c3ccccc3)cc2n1-c1ccccc1
InChIInChI=1S/C28H19F2N5/c29-20-12-7-13-21(30)24(20)27-33-25(17-8-3-1-4-9-17)26(34-27)18-14-15-22-23(16-18)35(28(31)32-22)19-10-5-2-6-11-19/h1-16H,(H2,31,32)(H,33,34)
InChIKeyFBAOMSQXJXDFPJ-UHFFFAOYSA-N
MW463.49 g/mol
LogP6.61
Rot. Bonds4

About 6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-phenylbenzimidazol-2-amine

6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-phenylbenzimidazol-2-amine (PubChem CID 11454030) has the molecular formula C28H19F2N5 and a molecular weight of 463.49 g/mol. Its IUPAC name is 6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-phenylbenzimidazol-2-amine.

Molecular Properties

Compound Name6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-phenylbenzimidazol-2-amine
PubChem CID11454030
Molecular FormulaC28H19F2N5
Molecular Weight463.49 g/mol
Exact Mass463.16
IUPAC Name6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-phenylbenzimidazol-2-amine
SMILESNc1nc2ccc(-c3nc(-c4c(F)cccc4F)[nH]c3-c3ccccc3)cc2n1-c1ccccc1
InChIInChI=1S/C28H19F2N5/c29-20-12-7-13-21(30)24(20)27-33-25(17-8-3-1-4-9-17)26(34-27)18-14-15-22-23(16-18)35(28(31)32-22)19-10-5-2-6-11-19/h1-16H,(H2,31,32)(H,33,34)
InChIKeyFBAOMSQXJXDFPJ-UHFFFAOYSA-N
XLogP6.61
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.49
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

Analyze 6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-phenylbenzimidazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-phenylbenzimidazol-2-amine?
The IUPAC name of 6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-phenylbenzimidazol-2-amine (CID 11454030) is 6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-phenylbenzimidazol-2-amine.
What is the SMILES notation for 6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-phenylbenzimidazol-2-amine?
The canonical SMILES for 6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-phenylbenzimidazol-2-amine is Nc1nc2ccc(-c3nc(-c4c(F)cccc4F)[nH]c3-c3ccccc3)cc2n1-c1ccccc1.
What is the InChIKey of 6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-phenylbenzimidazol-2-amine?
The InChIKey is FBAOMSQXJXDFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F2N5/c29-20-12-7-13-21(30)24(20)27-33-25(17-8-3-1-4-9-17)26(34-27)18-14-15-22-23(16-18)35(28(31)32-22)19-10-5-2-6-11-19/h1-16H,(H2,31,32)(H,33,34).
What are the key properties of 6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-phenylbenzimidazol-2-amine?
6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-phenylbenzimidazol-2-amine has a molecular weight of 463.49 g/mol, XLogP of 6.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-phenylbenzimidazol-2-amine is sourced from PubChem (CID 11454030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).