1-cyclopropyl-4,6-difluoro-2-pyridin-3-ylbenzimidazole

C15H11F2N3 — CID 56645365

IUPAC1-cyclopropyl-4,6-difluoro-2-pyridin-3-ylbenzimidazole
SMILESFc1cc(F)c2nc(-c3cccnc3)n(C3CC3)c2c1
InChIInChI=1S/C15H11F2N3/c16-10-6-12(17)14-13(7-10)20(11-3-4-11)15(19-14)9-2-1-5-18-8-9/h1-2,5-8,11H,3-4H2
InChIKeyDYKUBYJUQMFWGY-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.71
Rot. Bonds2

About 1-cyclopropyl-4,6-difluoro-2-pyridin-3-ylbenzimidazole

1-cyclopropyl-4,6-difluoro-2-pyridin-3-ylbenzimidazole (PubChem CID 56645365) has the molecular formula C15H11F2N3 and a molecular weight of 271.27 g/mol. Its IUPAC name is 1-cyclopropyl-4,6-difluoro-2-pyridin-3-ylbenzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-4,6-difluoro-2-pyridin-3-ylbenzimidazole
PubChem CID56645365
Molecular FormulaC15H11F2N3
Molecular Weight271.27 g/mol
Exact Mass271.09
IUPAC Name1-cyclopropyl-4,6-difluoro-2-pyridin-3-ylbenzimidazole
SMILESFc1cc(F)c2nc(-c3cccnc3)n(C3CC3)c2c1
InChIInChI=1S/C15H11F2N3/c16-10-6-12(17)14-13(7-10)20(11-3-4-11)15(19-14)9-2-1-5-18-8-9/h1-2,5-8,11H,3-4H2
InChIKeyDYKUBYJUQMFWGY-UHFFFAOYSA-N
XLogP3.71
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-4,6-difluoro-2-pyridin-3-ylbenzimidazole 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 1-cyclopropyl-4,6-difluoro-2-pyridin-3-ylbenzimidazole?
The IUPAC name of 1-cyclopropyl-4,6-difluoro-2-pyridin-3-ylbenzimidazole (CID 56645365) is 1-cyclopropyl-4,6-difluoro-2-pyridin-3-ylbenzimidazole.
What is the SMILES notation for 1-cyclopropyl-4,6-difluoro-2-pyridin-3-ylbenzimidazole?
The canonical SMILES for 1-cyclopropyl-4,6-difluoro-2-pyridin-3-ylbenzimidazole is Fc1cc(F)c2nc(-c3cccnc3)n(C3CC3)c2c1.
What is the InChIKey of 1-cyclopropyl-4,6-difluoro-2-pyridin-3-ylbenzimidazole?
The InChIKey is DYKUBYJUQMFWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3/c16-10-6-12(17)14-13(7-10)20(11-3-4-11)15(19-14)9-2-1-5-18-8-9/h1-2,5-8,11H,3-4H2.
What are the key properties of 1-cyclopropyl-4,6-difluoro-2-pyridin-3-ylbenzimidazole?
1-cyclopropyl-4,6-difluoro-2-pyridin-3-ylbenzimidazole has a molecular weight of 271.27 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4,6-difluoro-2-pyridin-3-ylbenzimidazole is sourced from PubChem (CID 56645365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).