2-methyl-3-phenyl-5,6,7,8,9,10-hexahydro-2H-imidazo[1,2-a]azocin-3-ol

C16H22N2O — CID 19771676

IUPAC2-methyl-3-phenyl-5,6,7,8,9,10-hexahydro-2H-imidazo[1,2-a]azocin-3-ol
SMILESCC1N=C2CCCCCCN2C1(O)c1ccccc1
InChIInChI=1S/C16H22N2O/c1-13-16(19,14-9-5-4-6-10-14)18-12-8-3-2-7-11-15(18)17-13/h4-6,9-10,13,19H,2-3,7-8,11-12H2,1H3
InChIKeyPIPWTFWTFSSGHX-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.90
Rot. Bonds1

About 2-methyl-3-phenyl-5,6,7,8,9,10-hexahydro-2H-imidazo[1,2-a]azocin-3-ol

2-methyl-3-phenyl-5,6,7,8,9,10-hexahydro-2H-imidazo[1,2-a]azocin-3-ol (PubChem CID 19771676) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-methyl-3-phenyl-5,6,7,8,9,10-hexahydro-2H-imidazo[1,2-a]azocin-3-ol.

Molecular Properties

Compound Name2-methyl-3-phenyl-5,6,7,8,9,10-hexahydro-2H-imidazo[1,2-a]azocin-3-ol
PubChem CID19771676
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-methyl-3-phenyl-5,6,7,8,9,10-hexahydro-2H-imidazo[1,2-a]azocin-3-ol
SMILESCC1N=C2CCCCCCN2C1(O)c1ccccc1
InChIInChI=1S/C16H22N2O/c1-13-16(19,14-9-5-4-6-10-14)18-12-8-3-2-7-11-15(18)17-13/h4-6,9-10,13,19H,2-3,7-8,11-12H2,1H3
InChIKeyPIPWTFWTFSSGHX-UHFFFAOYSA-N
XLogP2.90
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-5,6,7,8,9,10-hexahydro-2H-imidazo[1,2-a]azocin-3-ol?
The IUPAC name of 2-methyl-3-phenyl-5,6,7,8,9,10-hexahydro-2H-imidazo[1,2-a]azocin-3-ol (CID 19771676) is 2-methyl-3-phenyl-5,6,7,8,9,10-hexahydro-2H-imidazo[1,2-a]azocin-3-ol.
What is the SMILES notation for 2-methyl-3-phenyl-5,6,7,8,9,10-hexahydro-2H-imidazo[1,2-a]azocin-3-ol?
The canonical SMILES for 2-methyl-3-phenyl-5,6,7,8,9,10-hexahydro-2H-imidazo[1,2-a]azocin-3-ol is CC1N=C2CCCCCCN2C1(O)c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-5,6,7,8,9,10-hexahydro-2H-imidazo[1,2-a]azocin-3-ol?
The InChIKey is PIPWTFWTFSSGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13-16(19,14-9-5-4-6-10-14)18-12-8-3-2-7-11-15(18)17-13/h4-6,9-10,13,19H,2-3,7-8,11-12H2,1H3.
What are the key properties of 2-methyl-3-phenyl-5,6,7,8,9,10-hexahydro-2H-imidazo[1,2-a]azocin-3-ol?
2-methyl-3-phenyl-5,6,7,8,9,10-hexahydro-2H-imidazo[1,2-a]azocin-3-ol has a molecular weight of 258.36 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-5,6,7,8,9,10-hexahydro-2H-imidazo[1,2-a]azocin-3-ol is sourced from PubChem (CID 19771676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).