5-[4-(benzimidazol-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3,5-triazin-2-yl]-2-oxa-5-azabicyclo[2.2.1]heptane

C20H21N7O2 — CID 69001162

IUPAC5-[4-(benzimidazol-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3,5-triazin-2-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESc1ccc2c(c1)ncn2-c1nc(N2CC3CC2CO3)nc(N2CC3CC2CO3)n1
InChIInChI=1S/C20H21N7O2/c1-2-4-17-16(3-1)21-11-27(17)20-23-18(25-7-14-5-12(25)9-28-14)22-19(24-20)26-8-15-6-13(26)10-29-15/h1-4,11-15H,5-10H2
InChIKeyOSNPLXNFGYPQIK-UHFFFAOYSA-N
MW391.44 g/mol
LogP1.17
Rot. Bonds3

About 5-[4-(benzimidazol-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3,5-triazin-2-yl]-2-oxa-5-azabicyclo[2.2.1]heptane

5-[4-(benzimidazol-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3,5-triazin-2-yl]-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 69001162) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 5-[4-(benzimidazol-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3,5-triazin-2-yl]-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-[4-(benzimidazol-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3,5-triazin-2-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID69001162
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name5-[4-(benzimidazol-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3,5-triazin-2-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESc1ccc2c(c1)ncn2-c1nc(N2CC3CC2CO3)nc(N2CC3CC2CO3)n1
InChIInChI=1S/C20H21N7O2/c1-2-4-17-16(3-1)21-11-27(17)20-23-18(25-7-14-5-12(25)9-28-14)22-19(24-20)26-8-15-6-13(26)10-29-15/h1-4,11-15H,5-10H2
InChIKeyOSNPLXNFGYPQIK-UHFFFAOYSA-N
XLogP1.17
TPSA81.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[4-(benzimidazol-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3,5-triazin-2-yl]-2-oxa-5-azabicyclo[2.2.1]heptane with MolForge

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Related Compounds

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
5-(5-fluoropyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 121020713
5-(1-methylbenzimidazol-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 171512025
(1S,4S)-5-(2-pyridin-2-ylpyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 141429230
(2S,6R)-4-[2-(benzimidazol-1-yl)-6-[(2S,3R)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 67550474
4-(benzimidazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80841169
2-(benzimidazol-1-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine;methanethiol;oxetane
CID 142518114
6-(benzimidazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80853978
4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)benzaldehyde
CID 84777224
4-[2-(benzimidazol-1-yl)-6-(thiolan-2-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 142533170
[2-(benzimidazol-1-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
CID 137405562
5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 126853540

Frequently Asked Questions

What is the IUPAC name of 5-[4-(benzimidazol-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3,5-triazin-2-yl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 5-[4-(benzimidazol-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3,5-triazin-2-yl]-2-oxa-5-azabicyclo[2.2.1]heptane (CID 69001162) is 5-[4-(benzimidazol-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3,5-triazin-2-yl]-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 5-[4-(benzimidazol-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3,5-triazin-2-yl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 5-[4-(benzimidazol-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3,5-triazin-2-yl]-2-oxa-5-azabicyclo[2.2.1]heptane is c1ccc2c(c1)ncn2-c1nc(N2CC3CC2CO3)nc(N2CC3CC2CO3)n1.
What is the InChIKey of 5-[4-(benzimidazol-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3,5-triazin-2-yl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is OSNPLXNFGYPQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-2-4-17-16(3-1)21-11-27(17)20-23-18(25-7-14-5-12(25)9-28-14)22-19(24-20)26-8-15-6-13(26)10-29-15/h1-4,11-15H,5-10H2.
What are the key properties of 5-[4-(benzimidazol-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3,5-triazin-2-yl]-2-oxa-5-azabicyclo[2.2.1]heptane?
5-[4-(benzimidazol-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3,5-triazin-2-yl]-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 391.44 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(benzimidazol-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3,5-triazin-2-yl]-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 69001162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).