N-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]cyclohexanamine

C18H22F3N3O — CID 163088966

IUPACN-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]cyclohexanamine
SMILESFC(F)(F)c1ccc2c(c1)nc1n2C(CNC2CCCCC2)COC1
InChIInChI=1S/C18H22F3N3O/c19-18(20,21)12-6-7-16-15(8-12)23-17-11-25-10-14(24(16)17)9-22-13-4-2-1-3-5-13/h6-8,13-14,22H,1-5,9-11H2
InChIKeyZVIKOWKDRHTYJF-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.05
Rot. Bonds3

About N-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]cyclohexanamine

N-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]cyclohexanamine (PubChem CID 163088966) has the molecular formula C18H22F3N3O and a molecular weight of 353.39 g/mol. Its IUPAC name is N-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]cyclohexanamine
PubChem CID163088966
Molecular FormulaC18H22F3N3O
Molecular Weight353.39 g/mol
Exact Mass353.17
IUPAC NameN-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]cyclohexanamine
SMILESFC(F)(F)c1ccc2c(c1)nc1n2C(CNC2CCCCC2)COC1
InChIInChI=1S/C18H22F3N3O/c19-18(20,21)12-6-7-16-15(8-12)23-17-11-25-10-14(24(16)17)9-22-13-4-2-1-3-5-13/h6-8,13-14,22H,1-5,9-11H2
InChIKeyZVIKOWKDRHTYJF-UHFFFAOYSA-N
XLogP4.05
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]cyclohexanamine?
The IUPAC name of N-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]cyclohexanamine (CID 163088966) is N-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]cyclohexanamine?
The canonical SMILES for N-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]cyclohexanamine is FC(F)(F)c1ccc2c(c1)nc1n2C(CNC2CCCCC2)COC1.
What is the InChIKey of N-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]cyclohexanamine?
The InChIKey is ZVIKOWKDRHTYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O/c19-18(20,21)12-6-7-16-15(8-12)23-17-11-25-10-14(24(16)17)9-22-13-4-2-1-3-5-13/h6-8,13-14,22H,1-5,9-11H2.
What are the key properties of N-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]cyclohexanamine?
N-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]cyclohexanamine has a molecular weight of 353.39 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]cyclohexanamine is sourced from PubChem (CID 163088966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).