2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-phenylbenzimidazole

C22H16FN5 — CID 22380287

IUPAC2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-phenylbenzimidazole
SMILESFc1cccc(-c2nccn2Cc2nc3ccccc3n2-c2ccccc2)n1
InChIInChI=1S/C22H16FN5/c23-20-12-6-10-18(25-20)22-24-13-14-27(22)15-21-26-17-9-4-5-11-19(17)28(21)16-7-2-1-3-8-16/h1-14H,15H2
InChIKeyUNAQCYJEEMZFGJ-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.47
Rot. Bonds4

About 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-phenylbenzimidazole

2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-phenylbenzimidazole (PubChem CID 22380287) has the molecular formula C22H16FN5 and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-phenylbenzimidazole
PubChem CID22380287
Molecular FormulaC22H16FN5
Molecular Weight369.40 g/mol
Exact Mass369.14
IUPAC Name2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-phenylbenzimidazole
SMILESFc1cccc(-c2nccn2Cc2nc3ccccc3n2-c2ccccc2)n1
InChIInChI=1S/C22H16FN5/c23-20-12-6-10-18(25-20)22-24-13-14-27(22)15-21-26-17-9-4-5-11-19(17)28(21)16-7-2-1-3-8-16/h1-14H,15H2
InChIKeyUNAQCYJEEMZFGJ-UHFFFAOYSA-N
XLogP4.47
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.47
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-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-phenylbenzimidazole (CID 22380287) is 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-phenylbenzimidazole is Fc1cccc(-c2nccn2Cc2nc3ccccc3n2-c2ccccc2)n1.
What is the InChIKey of 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-phenylbenzimidazole?
The InChIKey is UNAQCYJEEMZFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5/c23-20-12-6-10-18(25-20)22-24-13-14-27(22)15-21-26-17-9-4-5-11-19(17)28(21)16-7-2-1-3-8-16/h1-14H,15H2.
What are the key properties of 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-phenylbenzimidazole?
2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-phenylbenzimidazole has a molecular weight of 369.40 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-phenylbenzimidazole is sourced from PubChem (CID 22380287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).