2-tert-butyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)morpholine

C21H25N3O — CID 146449602

IUPAC2-tert-butyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)morpholine
SMILESCC(C)(C)C1OCCNC1c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C21H25N3O/c1-21(2,3)19-18(22-10-11-25-19)20-23-13-17(24-20)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12-13,18-19,22H,10-11H2,1-3H3,(H,23,24)
InChIKeyBRYBSDQHTHMAED-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.31
Rot. Bonds2

About 2-tert-butyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)morpholine

2-tert-butyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)morpholine (PubChem CID 146449602) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-tert-butyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)morpholine.

Molecular Properties

Compound Name2-tert-butyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)morpholine
PubChem CID146449602
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-tert-butyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)morpholine
SMILESCC(C)(C)C1OCCNC1c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C21H25N3O/c1-21(2,3)19-18(22-10-11-25-19)20-23-13-17(24-20)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12-13,18-19,22H,10-11H2,1-3H3,(H,23,24)
InChIKeyBRYBSDQHTHMAED-UHFFFAOYSA-N
XLogP4.31
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)morpholine?
The IUPAC name of 2-tert-butyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)morpholine (CID 146449602) is 2-tert-butyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)morpholine.
What is the SMILES notation for 2-tert-butyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)morpholine?
The canonical SMILES for 2-tert-butyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)morpholine is CC(C)(C)C1OCCNC1c1ncc(-c2ccc3ccccc3c2)[nH]1.
What is the InChIKey of 2-tert-butyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)morpholine?
The InChIKey is BRYBSDQHTHMAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-21(2,3)19-18(22-10-11-25-19)20-23-13-17(24-20)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12-13,18-19,22H,10-11H2,1-3H3,(H,23,24).
What are the key properties of 2-tert-butyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)morpholine?
2-tert-butyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)morpholine has a molecular weight of 335.45 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)morpholine is sourced from PubChem (CID 146449602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).