2-[2-fluoro-5-[2-fluoro-3-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]-1-phenylbenzimidazole

C37H23F2N5 — CID 155351688

IUPAC2-[2-fluoro-5-[2-fluoro-3-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]-1-phenylbenzimidazole
SMILESFc1ncc(-c2cccc(-c3nc4ccccc4n3-c3ccccc3)c2F)cc1-c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C37H23F2N5/c38-34-27(16-11-17-28(34)36-41-30-18-7-9-20-32(30)43(36)25-12-3-1-4-13-25)24-22-29(35(39)40-23-24)37-42-31-19-8-10-21-33(31)44(37)26-14-5-2-6-15-26/h1-23H
InChIKeyRUVZZMTWIUTQOE-UHFFFAOYSA-N
MW575.62 g/mol
LogP9.04
Rot. Bonds5

About 2-[2-fluoro-5-[2-fluoro-3-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]-1-phenylbenzimidazole

2-[2-fluoro-5-[2-fluoro-3-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]-1-phenylbenzimidazole (PubChem CID 155351688) has the molecular formula C37H23F2N5 and a molecular weight of 575.62 g/mol. Its IUPAC name is 2-[2-fluoro-5-[2-fluoro-3-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[2-fluoro-5-[2-fluoro-3-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]-1-phenylbenzimidazole
PubChem CID155351688
Molecular FormulaC37H23F2N5
Molecular Weight575.62 g/mol
Exact Mass575.19
IUPAC Name2-[2-fluoro-5-[2-fluoro-3-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]-1-phenylbenzimidazole
SMILESFc1ncc(-c2cccc(-c3nc4ccccc4n3-c3ccccc3)c2F)cc1-c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C37H23F2N5/c38-34-27(16-11-17-28(34)36-41-30-18-7-9-20-32(30)43(36)25-12-3-1-4-13-25)24-22-29(35(39)40-23-24)37-42-31-19-8-10-21-33(31)44(37)26-14-5-2-6-15-26/h1-23H
InChIKeyRUVZZMTWIUTQOE-UHFFFAOYSA-N
XLogP9.04
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.62
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-[2-fluoro-3-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[2-fluoro-5-[2-fluoro-3-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]-1-phenylbenzimidazole (CID 155351688) is 2-[2-fluoro-5-[2-fluoro-3-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[2-fluoro-5-[2-fluoro-3-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[2-fluoro-5-[2-fluoro-3-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]-1-phenylbenzimidazole is Fc1ncc(-c2cccc(-c3nc4ccccc4n3-c3ccccc3)c2F)cc1-c1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of 2-[2-fluoro-5-[2-fluoro-3-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]-1-phenylbenzimidazole?
The InChIKey is RUVZZMTWIUTQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23F2N5/c38-34-27(16-11-17-28(34)36-41-30-18-7-9-20-32(30)43(36)25-12-3-1-4-13-25)24-22-29(35(39)40-23-24)37-42-31-19-8-10-21-33(31)44(37)26-14-5-2-6-15-26/h1-23H.
What are the key properties of 2-[2-fluoro-5-[2-fluoro-3-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]-1-phenylbenzimidazole?
2-[2-fluoro-5-[2-fluoro-3-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]-1-phenylbenzimidazole has a molecular weight of 575.62 g/mol, XLogP of 9.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-[2-fluoro-3-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]-1-phenylbenzimidazole is sourced from PubChem (CID 155351688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).