8-[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane

C23H26FN7O2 — CID 67029011

IUPAC8-[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane
SMILESFCc1nc2ccccc2n1-c1nc(N2C3CCC2COC3)nc(N2C3CCC2COC3)n1
InChIInChI=1S/C23H26FN7O2/c24-9-20-25-18-3-1-2-4-19(18)31(20)23-27-21(29-14-5-6-15(29)11-32-10-14)26-22(28-23)30-16-7-8-17(30)13-33-12-16/h1-4,14-17H,5-13H2
InChIKeySJJAWJVERKTZBM-UHFFFAOYSA-N
MW451.51 g/mol
LogP2.42
Rot. Bonds4

About 8-[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane

8-[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 67029011) has the molecular formula C23H26FN7O2 and a molecular weight of 451.51 g/mol. Its IUPAC name is 8-[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID67029011
Molecular FormulaC23H26FN7O2
Molecular Weight451.51 g/mol
Exact Mass451.21
IUPAC Name8-[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane
SMILESFCc1nc2ccccc2n1-c1nc(N2C3CCC2COC3)nc(N2C3CCC2COC3)n1
InChIInChI=1S/C23H26FN7O2/c24-9-20-25-18-3-1-2-4-19(18)31(20)23-27-21(29-14-5-6-15(29)11-32-10-14)26-22(28-23)30-16-7-8-17(30)13-33-12-16/h1-4,14-17H,5-13H2
InChIKeySJJAWJVERKTZBM-UHFFFAOYSA-N
XLogP2.42
TPSA81.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 8-[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

4-[2-[[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]phenol
CID 70810466
2-ethyl-1-[(3S)-oxan-3-yl]benzimidazole
CID 123829845
2-(chloromethyl)-1-cyclobutylbenzimidazole
CID 62416767
3-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3,5-triazin-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 69055070
N-ethyl-2-(2-methylbenzimidazol-1-yl)-1-(oxolan-3-yl)ethanamine
CID 104747178
1-(1-cyclopropylbenzimidazol-2-yl)-N-methylmethanamine
CID 43142730
4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine
CID 163440865
N-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine
CID 63001270
(3S,4R)-4-[(1-ethylbenzimidazol-2-yl)methyl-methylamino]oxolan-3-ol
CID 133123786
(2R,3S)-4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2,3-dimethylmorpholine
CID 42613855
2-(2-chloroethyl)-1-(oxan-4-ylmethyl)benzimidazole
CID 63713165
2-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)benzimidazole
CID 102901096

Frequently Asked Questions

What is the IUPAC name of 8-[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane (CID 67029011) is 8-[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane is FCc1nc2ccccc2n1-c1nc(N2C3CCC2COC3)nc(N2C3CCC2COC3)n1.
What is the InChIKey of 8-[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is SJJAWJVERKTZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O2/c24-9-20-25-18-3-1-2-4-19(18)31(20)23-27-21(29-14-5-6-15(29)11-32-10-14)26-22(28-23)30-16-7-8-17(30)13-33-12-16/h1-4,14-17H,5-13H2.
What are the key properties of 8-[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane?
8-[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 451.51 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 67029011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).