1-cyclooctyl-4,6-difluorobenzimidazol-2-amine

C15H19F2N3 — CID 115508550

IUPAC1-cyclooctyl-4,6-difluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cc(F)cc2n1C1CCCCCCC1
InChIInChI=1S/C15H19F2N3/c16-10-8-12(17)14-13(9-10)20(15(18)19-14)11-6-4-2-1-3-5-7-11/h8-9,11H,1-7H2,(H2,18,19)
InChIKeyVSOUAXQTUIDMCW-UHFFFAOYSA-N
MW279.33 g/mol
LogP4.18
Rot. Bonds1

About 1-cyclooctyl-4,6-difluorobenzimidazol-2-amine

1-cyclooctyl-4,6-difluorobenzimidazol-2-amine (PubChem CID 115508550) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is 1-cyclooctyl-4,6-difluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-cyclooctyl-4,6-difluorobenzimidazol-2-amine
PubChem CID115508550
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC Name1-cyclooctyl-4,6-difluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cc(F)cc2n1C1CCCCCCC1
InChIInChI=1S/C15H19F2N3/c16-10-8-12(17)14-13(9-10)20(15(18)19-14)11-6-4-2-1-3-5-7-11/h8-9,11H,1-7H2,(H2,18,19)
InChIKeyVSOUAXQTUIDMCW-UHFFFAOYSA-N
XLogP4.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-difluoro-1-(1-propylpiperidin-4-yl)benzimidazol-2-amine
CID 115508758
5-bromo-1-cyclooctyl-6-fluorobenzimidazol-2-amine
CID 66086490
1-(2,2-dimethyloxan-4-yl)-4,6-difluorobenzimidazol-2-amine
CID 83028894
1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine
CID 113325607
4,6-difluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
CID 82727870
4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine
CID 115508935
2-(chloromethyl)-1-cyclopropyl-4,6-difluorobenzimidazole
CID 115509040
1-cyclohexylbenzimidazole-2,5-diamine
CID 84793894
4,6-difluoro-1-(thian-2-ylmethyl)benzimidazol-2-amine
CID 115508969
4-fluoro-1-piperidin-4-ylbenzimidazol-2-amine
CID 84796902
1-(3,5-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508643
4-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzimidazol-2-amine
CID 65472995

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-4,6-difluorobenzimidazol-2-amine?
The IUPAC name of 1-cyclooctyl-4,6-difluorobenzimidazol-2-amine (CID 115508550) is 1-cyclooctyl-4,6-difluorobenzimidazol-2-amine.
What is the SMILES notation for 1-cyclooctyl-4,6-difluorobenzimidazol-2-amine?
The canonical SMILES for 1-cyclooctyl-4,6-difluorobenzimidazol-2-amine is Nc1nc2c(F)cc(F)cc2n1C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-4,6-difluorobenzimidazol-2-amine?
The InChIKey is VSOUAXQTUIDMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c16-10-8-12(17)14-13(9-10)20(15(18)19-14)11-6-4-2-1-3-5-7-11/h8-9,11H,1-7H2,(H2,18,19).
What are the key properties of 1-cyclooctyl-4,6-difluorobenzimidazol-2-amine?
1-cyclooctyl-4,6-difluorobenzimidazol-2-amine has a molecular weight of 279.33 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-4,6-difluorobenzimidazol-2-amine is sourced from PubChem (CID 115508550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).