6-fluoro-1-(oxan-2-yl)benzimidazole

C12H13FN2O — CID 141364724

IUPAC6-fluoro-1-(oxan-2-yl)benzimidazole
SMILESFc1ccc2ncn(C3CCCCO3)c2c1
InChIInChI=1S/C12H13FN2O/c13-9-4-5-10-11(7-9)15(8-14-10)12-3-1-2-6-16-12/h4-5,7-8,12H,1-3,6H2
InChIKeyRBBPOIPCBCHEHP-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.87
Rot. Bonds1

About 6-fluoro-1-(oxan-2-yl)benzimidazole

6-fluoro-1-(oxan-2-yl)benzimidazole (PubChem CID 141364724) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 6-fluoro-1-(oxan-2-yl)benzimidazole.

Molecular Properties

Compound Name6-fluoro-1-(oxan-2-yl)benzimidazole
PubChem CID141364724
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name6-fluoro-1-(oxan-2-yl)benzimidazole
SMILESFc1ccc2ncn(C3CCCCO3)c2c1
InChIInChI=1S/C12H13FN2O/c13-9-4-5-10-11(7-9)15(8-14-10)12-3-1-2-6-16-12/h4-5,7-8,12H,1-3,6H2
InChIKeyRBBPOIPCBCHEHP-UHFFFAOYSA-N
XLogP2.87
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-1-(oxan-2-yl)benzimidazole 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 6-fluoro-1-(oxan-2-yl)benzimidazole?
The IUPAC name of 6-fluoro-1-(oxan-2-yl)benzimidazole (CID 141364724) is 6-fluoro-1-(oxan-2-yl)benzimidazole.
What is the SMILES notation for 6-fluoro-1-(oxan-2-yl)benzimidazole?
The canonical SMILES for 6-fluoro-1-(oxan-2-yl)benzimidazole is Fc1ccc2ncn(C3CCCCO3)c2c1.
What is the InChIKey of 6-fluoro-1-(oxan-2-yl)benzimidazole?
The InChIKey is RBBPOIPCBCHEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c13-9-4-5-10-11(7-9)15(8-14-10)12-3-1-2-6-16-12/h4-5,7-8,12H,1-3,6H2.
What are the key properties of 6-fluoro-1-(oxan-2-yl)benzimidazole?
6-fluoro-1-(oxan-2-yl)benzimidazole has a molecular weight of 220.25 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(oxan-2-yl)benzimidazole is sourced from PubChem (CID 141364724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).