3-[[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]methyl]morpholine

C15H18BrN3O — CID 116881161

IUPAC3-[[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]methyl]morpholine
SMILESCc1ccc(Br)cc1-c1cnc(CC2COCCN2)[nH]1
InChIInChI=1S/C15H18BrN3O/c1-10-2-3-11(16)6-13(10)14-8-18-15(19-14)7-12-9-20-5-4-17-12/h2-3,6,8,12,17H,4-5,7,9H2,1H3,(H,18,19)
InChIKeyLDBWZRLZDQJJKL-UHFFFAOYSA-N
MW336.23 g/mol
LogP2.68
Rot. Bonds3

About 3-[[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]methyl]morpholine

3-[[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]methyl]morpholine (PubChem CID 116881161) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 3-[[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name3-[[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]methyl]morpholine
PubChem CID116881161
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name3-[[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]methyl]morpholine
SMILESCc1ccc(Br)cc1-c1cnc(CC2COCCN2)[nH]1
InChIInChI=1S/C15H18BrN3O/c1-10-2-3-11(16)6-13(10)14-8-18-15(19-14)7-12-9-20-5-4-17-12/h2-3,6,8,12,17H,4-5,7,9H2,1H3,(H,18,19)
InChIKeyLDBWZRLZDQJJKL-UHFFFAOYSA-N
XLogP2.68
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]methyl]morpholine?
The IUPAC name of 3-[[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]methyl]morpholine (CID 116881161) is 3-[[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]methyl]morpholine.
What is the SMILES notation for 3-[[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]methyl]morpholine?
The canonical SMILES for 3-[[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]methyl]morpholine is Cc1ccc(Br)cc1-c1cnc(CC2COCCN2)[nH]1.
What is the InChIKey of 3-[[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]methyl]morpholine?
The InChIKey is LDBWZRLZDQJJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-10-2-3-11(16)6-13(10)14-8-18-15(19-14)7-12-9-20-5-4-17-12/h2-3,6,8,12,17H,4-5,7,9H2,1H3,(H,18,19).
What are the key properties of 3-[[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]methyl]morpholine?
3-[[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]methyl]morpholine has a molecular weight of 336.23 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]methyl]morpholine is sourced from PubChem (CID 116881161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).