5,6-difluoro-1-(oxan-3-yl)benzimidazole

C12H12F2N2O — CID 107137609

IUPAC5,6-difluoro-1-(oxan-3-yl)benzimidazole
SMILESFc1cc2ncn(C3CCCOC3)c2cc1F
InChIInChI=1S/C12H12F2N2O/c13-9-4-11-12(5-10(9)14)16(7-15-11)8-2-1-3-17-6-8/h4-5,7-8H,1-3,6H2
InChIKeySIOLSYGNLCCOMD-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.67
Rot. Bonds1

About 5,6-difluoro-1-(oxan-3-yl)benzimidazole

5,6-difluoro-1-(oxan-3-yl)benzimidazole (PubChem CID 107137609) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 5,6-difluoro-1-(oxan-3-yl)benzimidazole.

Molecular Properties

Compound Name5,6-difluoro-1-(oxan-3-yl)benzimidazole
PubChem CID107137609
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name5,6-difluoro-1-(oxan-3-yl)benzimidazole
SMILESFc1cc2ncn(C3CCCOC3)c2cc1F
InChIInChI=1S/C12H12F2N2O/c13-9-4-11-12(5-10(9)14)16(7-15-11)8-2-1-3-17-6-8/h4-5,7-8H,1-3,6H2
InChIKeySIOLSYGNLCCOMD-UHFFFAOYSA-N
XLogP2.67
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-1-(oxan-3-yl)benzimidazole?
The IUPAC name of 5,6-difluoro-1-(oxan-3-yl)benzimidazole (CID 107137609) is 5,6-difluoro-1-(oxan-3-yl)benzimidazole.
What is the SMILES notation for 5,6-difluoro-1-(oxan-3-yl)benzimidazole?
The canonical SMILES for 5,6-difluoro-1-(oxan-3-yl)benzimidazole is Fc1cc2ncn(C3CCCOC3)c2cc1F.
What is the InChIKey of 5,6-difluoro-1-(oxan-3-yl)benzimidazole?
The InChIKey is SIOLSYGNLCCOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c13-9-4-11-12(5-10(9)14)16(7-15-11)8-2-1-3-17-6-8/h4-5,7-8H,1-3,6H2.
What are the key properties of 5,6-difluoro-1-(oxan-3-yl)benzimidazole?
5,6-difluoro-1-(oxan-3-yl)benzimidazole has a molecular weight of 238.24 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1-(oxan-3-yl)benzimidazole is sourced from PubChem (CID 107137609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).