5-[(1-benzylimidazol-2-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine

C22H25N3O2 — CID 171907837

IUPAC5-[(1-benzylimidazol-2-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine
SMILESCOc1cccc2c1OCCCN(Cc1nccn1Cc1ccccc1)C2
InChIInChI=1S/C22H25N3O2/c1-26-20-10-5-9-19-16-24(12-6-14-27-22(19)20)17-21-23-11-13-25(21)15-18-7-3-2-4-8-18/h2-5,7-11,13H,6,12,14-17H2,1H3
InChIKeyWICZZJWQMPYZKR-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.72
Rot. Bonds5

About 5-[(1-benzylimidazol-2-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine

5-[(1-benzylimidazol-2-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine (PubChem CID 171907837) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 5-[(1-benzylimidazol-2-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine.

Molecular Properties

Compound Name5-[(1-benzylimidazol-2-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine
PubChem CID171907837
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name5-[(1-benzylimidazol-2-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine
SMILESCOc1cccc2c1OCCCN(Cc1nccn1Cc1ccccc1)C2
InChIInChI=1S/C22H25N3O2/c1-26-20-10-5-9-19-16-24(12-6-14-27-22(19)20)17-21-23-11-13-25(21)15-18-7-3-2-4-8-18/h2-5,7-11,13H,6,12,14-17H2,1H3
InChIKeyWICZZJWQMPYZKR-UHFFFAOYSA-N
XLogP3.72
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-benzylimidazol-2-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine?
The IUPAC name of 5-[(1-benzylimidazol-2-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine (CID 171907837) is 5-[(1-benzylimidazol-2-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine.
What is the SMILES notation for 5-[(1-benzylimidazol-2-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine?
The canonical SMILES for 5-[(1-benzylimidazol-2-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine is COc1cccc2c1OCCCN(Cc1nccn1Cc1ccccc1)C2.
What is the InChIKey of 5-[(1-benzylimidazol-2-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine?
The InChIKey is WICZZJWQMPYZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-26-20-10-5-9-19-16-24(12-6-14-27-22(19)20)17-21-23-11-13-25(21)15-18-7-3-2-4-8-18/h2-5,7-11,13H,6,12,14-17H2,1H3.
What are the key properties of 5-[(1-benzylimidazol-2-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine?
5-[(1-benzylimidazol-2-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine has a molecular weight of 363.46 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-benzylimidazol-2-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine is sourced from PubChem (CID 171907837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).