4-[2-[2-(3-bromophenyl)imidazol-1-yl]ethyl]morpholine

C15H18BrN3O — CID 82562319

IUPAC4-[2-[2-(3-bromophenyl)imidazol-1-yl]ethyl]morpholine
SMILESBrc1cccc(-c2nccn2CCN2CCOCC2)c1
InChIInChI=1S/C15H18BrN3O/c16-14-3-1-2-13(12-14)15-17-4-5-19(15)7-6-18-8-10-20-11-9-18/h1-5,12H,6-11H2
InChIKeyZTCVWVMAVATRKG-UHFFFAOYSA-N
MW336.23 g/mol
LogP2.64
Rot. Bonds4

About 4-[2-[2-(3-bromophenyl)imidazol-1-yl]ethyl]morpholine

4-[2-[2-(3-bromophenyl)imidazol-1-yl]ethyl]morpholine (PubChem CID 82562319) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-[2-[2-(3-bromophenyl)imidazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(3-bromophenyl)imidazol-1-yl]ethyl]morpholine
PubChem CID82562319
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name4-[2-[2-(3-bromophenyl)imidazol-1-yl]ethyl]morpholine
SMILESBrc1cccc(-c2nccn2CCN2CCOCC2)c1
InChIInChI=1S/C15H18BrN3O/c16-14-3-1-2-13(12-14)15-17-4-5-19(15)7-6-18-8-10-20-11-9-18/h1-5,12H,6-11H2
InChIKeyZTCVWVMAVATRKG-UHFFFAOYSA-N
XLogP2.64
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(3-bromophenyl)imidazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[2-(3-bromophenyl)imidazol-1-yl]ethyl]morpholine (CID 82562319) is 4-[2-[2-(3-bromophenyl)imidazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-(3-bromophenyl)imidazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-(3-bromophenyl)imidazol-1-yl]ethyl]morpholine is Brc1cccc(-c2nccn2CCN2CCOCC2)c1.
What is the InChIKey of 4-[2-[2-(3-bromophenyl)imidazol-1-yl]ethyl]morpholine?
The InChIKey is ZTCVWVMAVATRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c16-14-3-1-2-13(12-14)15-17-4-5-19(15)7-6-18-8-10-20-11-9-18/h1-5,12H,6-11H2.
What are the key properties of 4-[2-[2-(3-bromophenyl)imidazol-1-yl]ethyl]morpholine?
4-[2-[2-(3-bromophenyl)imidazol-1-yl]ethyl]morpholine has a molecular weight of 336.23 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(3-bromophenyl)imidazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 82562319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).