6-chloro-1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole

C15H11ClFN3 — CID 56645969

IUPAC6-chloro-1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole
SMILESFc1cc2nc(-c3cccnc3)n(C3CC3)c2cc1Cl
InChIInChI=1S/C15H11ClFN3/c16-11-6-14-13(7-12(11)17)19-15(20(14)10-3-4-10)9-2-1-5-18-8-9/h1-2,5-8,10H,3-4H2
InChIKeyCTJLLLDHDLALBA-UHFFFAOYSA-N
MW287.73 g/mol
LogP4.23
Rot. Bonds2

About 6-chloro-1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole

6-chloro-1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole (PubChem CID 56645969) has the molecular formula C15H11ClFN3 and a molecular weight of 287.73 g/mol. Its IUPAC name is 6-chloro-1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole.

Molecular Properties

Compound Name6-chloro-1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole
PubChem CID56645969
Molecular FormulaC15H11ClFN3
Molecular Weight287.73 g/mol
Exact Mass287.06
IUPAC Name6-chloro-1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole
SMILESFc1cc2nc(-c3cccnc3)n(C3CC3)c2cc1Cl
InChIInChI=1S/C15H11ClFN3/c16-11-6-14-13(7-12(11)17)19-15(20(14)10-3-4-10)9-2-1-5-18-8-9/h1-2,5-8,10H,3-4H2
InChIKeyCTJLLLDHDLALBA-UHFFFAOYSA-N
XLogP4.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole?
The IUPAC name of 6-chloro-1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole (CID 56645969) is 6-chloro-1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole.
What is the SMILES notation for 6-chloro-1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole?
The canonical SMILES for 6-chloro-1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole is Fc1cc2nc(-c3cccnc3)n(C3CC3)c2cc1Cl.
What is the InChIKey of 6-chloro-1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole?
The InChIKey is CTJLLLDHDLALBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3/c16-11-6-14-13(7-12(11)17)19-15(20(14)10-3-4-10)9-2-1-5-18-8-9/h1-2,5-8,10H,3-4H2.
What are the key properties of 6-chloro-1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole?
6-chloro-1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole has a molecular weight of 287.73 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-cyclopropyl-5-fluoro-2-pyridin-3-ylbenzimidazole is sourced from PubChem (CID 56645969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).