5-fluoro-2-methoxy-1-pyridin-2-ylbenzimidazole

C13H10FN3O — CID 59841482

IUPAC5-fluoro-2-methoxy-1-pyridin-2-ylbenzimidazole
SMILESCOc1nc2cc(F)ccc2n1-c1ccccn1
InChIInChI=1S/C13H10FN3O/c1-18-13-16-10-8-9(14)5-6-11(10)17(13)12-4-2-3-7-15-12/h2-8H,1H3
InChIKeyUKUQTIDPPWDLLC-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.57
Rot. Bonds2

About 5-fluoro-2-methoxy-1-pyridin-2-ylbenzimidazole

5-fluoro-2-methoxy-1-pyridin-2-ylbenzimidazole (PubChem CID 59841482) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-1-pyridin-2-ylbenzimidazole.

Molecular Properties

Compound Name5-fluoro-2-methoxy-1-pyridin-2-ylbenzimidazole
PubChem CID59841482
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name5-fluoro-2-methoxy-1-pyridin-2-ylbenzimidazole
SMILESCOc1nc2cc(F)ccc2n1-c1ccccn1
InChIInChI=1S/C13H10FN3O/c1-18-13-16-10-8-9(14)5-6-11(10)17(13)12-4-2-3-7-15-12/h2-8H,1H3
InChIKeyUKUQTIDPPWDLLC-UHFFFAOYSA-N
XLogP2.57
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-1-pyridin-2-ylbenzimidazole?
The IUPAC name of 5-fluoro-2-methoxy-1-pyridin-2-ylbenzimidazole (CID 59841482) is 5-fluoro-2-methoxy-1-pyridin-2-ylbenzimidazole.
What is the SMILES notation for 5-fluoro-2-methoxy-1-pyridin-2-ylbenzimidazole?
The canonical SMILES for 5-fluoro-2-methoxy-1-pyridin-2-ylbenzimidazole is COc1nc2cc(F)ccc2n1-c1ccccn1.
What is the InChIKey of 5-fluoro-2-methoxy-1-pyridin-2-ylbenzimidazole?
The InChIKey is UKUQTIDPPWDLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c1-18-13-16-10-8-9(14)5-6-11(10)17(13)12-4-2-3-7-15-12/h2-8H,1H3.
What are the key properties of 5-fluoro-2-methoxy-1-pyridin-2-ylbenzimidazole?
5-fluoro-2-methoxy-1-pyridin-2-ylbenzimidazole has a molecular weight of 243.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-1-pyridin-2-ylbenzimidazole is sourced from PubChem (CID 59841482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).