1-cyclopropyl-5,6-difluoro-2-pyridin-3-ylbenzimidazole

C15H11F2N3 — CID 56645364

IUPAC1-cyclopropyl-5,6-difluoro-2-pyridin-3-ylbenzimidazole
SMILESFc1cc2nc(-c3cccnc3)n(C3CC3)c2cc1F
InChIInChI=1S/C15H11F2N3/c16-11-6-13-14(7-12(11)17)20(10-3-4-10)15(19-13)9-2-1-5-18-8-9/h1-2,5-8,10H,3-4H2
InChIKeyYOLCMHZZRNTFNX-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.71
Rot. Bonds2

About 1-cyclopropyl-5,6-difluoro-2-pyridin-3-ylbenzimidazole

1-cyclopropyl-5,6-difluoro-2-pyridin-3-ylbenzimidazole (PubChem CID 56645364) has the molecular formula C15H11F2N3 and a molecular weight of 271.27 g/mol. Its IUPAC name is 1-cyclopropyl-5,6-difluoro-2-pyridin-3-ylbenzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-5,6-difluoro-2-pyridin-3-ylbenzimidazole
PubChem CID56645364
Molecular FormulaC15H11F2N3
Molecular Weight271.27 g/mol
Exact Mass271.09
IUPAC Name1-cyclopropyl-5,6-difluoro-2-pyridin-3-ylbenzimidazole
SMILESFc1cc2nc(-c3cccnc3)n(C3CC3)c2cc1F
InChIInChI=1S/C15H11F2N3/c16-11-6-13-14(7-12(11)17)20(10-3-4-10)15(19-13)9-2-1-5-18-8-9/h1-2,5-8,10H,3-4H2
InChIKeyYOLCMHZZRNTFNX-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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5,6-difluoro-2-pyridin-3-ylbenzimidazole?
The IUPAC name of 1-cyclopropyl-5,6-difluoro-2-pyridin-3-ylbenzimidazole (CID 56645364) is 1-cyclopropyl-5,6-difluoro-2-pyridin-3-ylbenzimidazole.
What is the SMILES notation for 1-cyclopropyl-5,6-difluoro-2-pyridin-3-ylbenzimidazole?
The canonical SMILES for 1-cyclopropyl-5,6-difluoro-2-pyridin-3-ylbenzimidazole is Fc1cc2nc(-c3cccnc3)n(C3CC3)c2cc1F.
What is the InChIKey of 1-cyclopropyl-5,6-difluoro-2-pyridin-3-ylbenzimidazole?
The InChIKey is YOLCMHZZRNTFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3/c16-11-6-13-14(7-12(11)17)20(10-3-4-10)15(19-13)9-2-1-5-18-8-9/h1-2,5-8,10H,3-4H2.
What are the key properties of 1-cyclopropyl-5,6-difluoro-2-pyridin-3-ylbenzimidazole?
1-cyclopropyl-5,6-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-5,6-difluoro-2-pyridin-3-ylbenzimidazole is sourced from PubChem (CID 56645364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).