1-cyclopropyl-5,6-difluoro-2-(5-fluoro-3-pyridinyl)benzimidazole

C15H10F3N3 — CID 56645570

IUPAC1-cyclopropyl-5,6-difluoro-2-(5-fluoro-3-pyridinyl)benzimidazole
SMILESFc1cncc(-c2nc3cc(F)c(F)cc3n2C2CC2)c1
InChIInChI=1S/C15H10F3N3/c16-9-3-8(6-19-7-9)15-20-13-4-11(17)12(18)5-14(13)21(15)10-1-2-10/h3-7,10H,1-2H2
InChIKeyZCWSKWSPXNSPLS-UHFFFAOYSA-N
MW289.26 g/mol
LogP3.85
Rot. Bonds2

About 1-cyclopropyl-5,6-difluoro-2-(5-fluoro-3-pyridinyl)benzimidazole

1-cyclopropyl-5,6-difluoro-2-(5-fluoro-3-pyridinyl)benzimidazole (PubChem CID 56645570) has the molecular formula C15H10F3N3 and a molecular weight of 289.26 g/mol. Its IUPAC name is 1-cyclopropyl-5,6-difluoro-2-(5-fluoro-3-pyridinyl)benzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-5,6-difluoro-2-(5-fluoro-3-pyridinyl)benzimidazole
PubChem CID56645570
Molecular FormulaC15H10F3N3
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name1-cyclopropyl-5,6-difluoro-2-(5-fluoro-3-pyridinyl)benzimidazole
SMILESFc1cncc(-c2nc3cc(F)c(F)cc3n2C2CC2)c1
InChIInChI=1S/C15H10F3N3/c16-9-3-8(6-19-7-9)15-20-13-4-11(17)12(18)5-14(13)21(15)10-1-2-10/h3-7,10H,1-2H2
InChIKeyZCWSKWSPXNSPLS-UHFFFAOYSA-N
XLogP3.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 53.85
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-(5-fluoro-3-pyridinyl)benzimidazole?
The IUPAC name of 1-cyclopropyl-5,6-difluoro-2-(5-fluoro-3-pyridinyl)benzimidazole (CID 56645570) is 1-cyclopropyl-5,6-difluoro-2-(5-fluoro-3-pyridinyl)benzimidazole.
What is the SMILES notation for 1-cyclopropyl-5,6-difluoro-2-(5-fluoro-3-pyridinyl)benzimidazole?
The canonical SMILES for 1-cyclopropyl-5,6-difluoro-2-(5-fluoro-3-pyridinyl)benzimidazole is Fc1cncc(-c2nc3cc(F)c(F)cc3n2C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-5,6-difluoro-2-(5-fluoro-3-pyridinyl)benzimidazole?
The InChIKey is ZCWSKWSPXNSPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3/c16-9-3-8(6-19-7-9)15-20-13-4-11(17)12(18)5-14(13)21(15)10-1-2-10/h3-7,10H,1-2H2.
What are the key properties of 1-cyclopropyl-5,6-difluoro-2-(5-fluoro-3-pyridinyl)benzimidazole?
1-cyclopropyl-5,6-difluoro-2-(5-fluoro-3-pyridinyl)benzimidazole has a molecular weight of 289.26 g/mol, XLogP of 3.85, 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-(5-fluoro-3-pyridinyl)benzimidazole is sourced from PubChem (CID 56645570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).