4-(3-bromo-4-imidazol-1-ylphenyl)morpholine

C13H14BrN3O — CID 172761496

IUPAC4-(3-bromo-4-imidazol-1-ylphenyl)morpholine
SMILESBrc1cc(N2CCOCC2)ccc1-n1ccnc1
InChIInChI=1S/C13H14BrN3O/c14-12-9-11(16-5-7-18-8-6-16)1-2-13(12)17-4-3-15-10-17/h1-4,9-10H,5-8H2
InChIKeyLTCQRQKKDOPSEI-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.47
Rot. Bonds2

About 4-(3-bromo-4-imidazol-1-ylphenyl)morpholine

4-(3-bromo-4-imidazol-1-ylphenyl)morpholine (PubChem CID 172761496) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 4-(3-bromo-4-imidazol-1-ylphenyl)morpholine.

Molecular Properties

Compound Name4-(3-bromo-4-imidazol-1-ylphenyl)morpholine
PubChem CID172761496
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name4-(3-bromo-4-imidazol-1-ylphenyl)morpholine
SMILESBrc1cc(N2CCOCC2)ccc1-n1ccnc1
InChIInChI=1S/C13H14BrN3O/c14-12-9-11(16-5-7-18-8-6-16)1-2-13(12)17-4-3-15-10-17/h1-4,9-10H,5-8H2
InChIKeyLTCQRQKKDOPSEI-UHFFFAOYSA-N
XLogP2.47
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-imidazol-1-ylphenyl)morpholine?
The IUPAC name of 4-(3-bromo-4-imidazol-1-ylphenyl)morpholine (CID 172761496) is 4-(3-bromo-4-imidazol-1-ylphenyl)morpholine.
What is the SMILES notation for 4-(3-bromo-4-imidazol-1-ylphenyl)morpholine?
The canonical SMILES for 4-(3-bromo-4-imidazol-1-ylphenyl)morpholine is Brc1cc(N2CCOCC2)ccc1-n1ccnc1.
What is the InChIKey of 4-(3-bromo-4-imidazol-1-ylphenyl)morpholine?
The InChIKey is LTCQRQKKDOPSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c14-12-9-11(16-5-7-18-8-6-16)1-2-13(12)17-4-3-15-10-17/h1-4,9-10H,5-8H2.
What are the key properties of 4-(3-bromo-4-imidazol-1-ylphenyl)morpholine?
4-(3-bromo-4-imidazol-1-ylphenyl)morpholine has a molecular weight of 308.18 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-imidazol-1-ylphenyl)morpholine is sourced from PubChem (CID 172761496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).