5,7-difluoro-1-(3-methylbutyl)benzimidazole

C12H14F2N2 — CID 59827858

IUPAC5,7-difluoro-1-(3-methylbutyl)benzimidazole
SMILESCC(C)CCn1cnc2cc(F)cc(F)c21
InChIInChI=1S/C12H14F2N2/c1-8(2)3-4-16-7-15-11-6-9(13)5-10(14)12(11)16/h5-8H,3-4H2,1-2H3
InChIKeyCZRNAVIPFRINCX-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.36
Rot. Bonds3

About 5,7-difluoro-1-(3-methylbutyl)benzimidazole

5,7-difluoro-1-(3-methylbutyl)benzimidazole (PubChem CID 59827858) has the molecular formula C12H14F2N2 and a molecular weight of 224.25 g/mol. Its IUPAC name is 5,7-difluoro-1-(3-methylbutyl)benzimidazole.

Molecular Properties

Compound Name5,7-difluoro-1-(3-methylbutyl)benzimidazole
PubChem CID59827858
Molecular FormulaC12H14F2N2
Molecular Weight224.25 g/mol
Exact Mass224.11
IUPAC Name5,7-difluoro-1-(3-methylbutyl)benzimidazole
SMILESCC(C)CCn1cnc2cc(F)cc(F)c21
InChIInChI=1S/C12H14F2N2/c1-8(2)3-4-16-7-15-11-6-9(13)5-10(14)12(11)16/h5-8H,3-4H2,1-2H3
InChIKeyCZRNAVIPFRINCX-UHFFFAOYSA-N
XLogP3.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-1-(3-methylbutyl)benzimidazole?
The IUPAC name of 5,7-difluoro-1-(3-methylbutyl)benzimidazole (CID 59827858) is 5,7-difluoro-1-(3-methylbutyl)benzimidazole.
What is the SMILES notation for 5,7-difluoro-1-(3-methylbutyl)benzimidazole?
The canonical SMILES for 5,7-difluoro-1-(3-methylbutyl)benzimidazole is CC(C)CCn1cnc2cc(F)cc(F)c21.
What is the InChIKey of 5,7-difluoro-1-(3-methylbutyl)benzimidazole?
The InChIKey is CZRNAVIPFRINCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2/c1-8(2)3-4-16-7-15-11-6-9(13)5-10(14)12(11)16/h5-8H,3-4H2,1-2H3.
What are the key properties of 5,7-difluoro-1-(3-methylbutyl)benzimidazole?
5,7-difluoro-1-(3-methylbutyl)benzimidazole has a molecular weight of 224.25 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-1-(3-methylbutyl)benzimidazole is sourced from PubChem (CID 59827858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).