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

C17H22BrN3O — CID 82561888

IUPAC4-[3-[2-[(3-bromophenyl)methyl]imidazol-1-yl]propyl]morpholine
SMILESBrc1cccc(Cc2nccn2CCCN2CCOCC2)c1
InChIInChI=1S/C17H22BrN3O/c18-16-4-1-3-15(13-16)14-17-19-5-8-21(17)7-2-6-20-9-11-22-12-10-20/h1,3-5,8,13H,2,6-7,9-12,14H2
InChIKeyGXXIDHLVMXGCFJ-UHFFFAOYSA-N
MW364.29 g/mol
LogP2.96
Rot. Bonds6

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

4-[3-[2-[(3-bromophenyl)methyl]imidazol-1-yl]propyl]morpholine (PubChem CID 82561888) has the molecular formula C17H22BrN3O and a molecular weight of 364.29 g/mol. Its IUPAC name is 4-[3-[2-[(3-bromophenyl)methyl]imidazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[2-[(3-bromophenyl)methyl]imidazol-1-yl]propyl]morpholine
PubChem CID82561888
Molecular FormulaC17H22BrN3O
Molecular Weight364.29 g/mol
Exact Mass363.09
IUPAC Name4-[3-[2-[(3-bromophenyl)methyl]imidazol-1-yl]propyl]morpholine
SMILESBrc1cccc(Cc2nccn2CCCN2CCOCC2)c1
InChIInChI=1S/C17H22BrN3O/c18-16-4-1-3-15(13-16)14-17-19-5-8-21(17)7-2-6-20-9-11-22-12-10-20/h1,3-5,8,13H,2,6-7,9-12,14H2
InChIKeyGXXIDHLVMXGCFJ-UHFFFAOYSA-N
XLogP2.96
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(3-bromophenyl)methyl]imidazol-1-yl]butan-1-amine
CID 82558169
4-[2-[2-(3-bromophenyl)imidazol-1-yl]ethyl]morpholine
CID 82562319
[4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558174
[3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558173
4-[3-[3-[(3-bromophenyl)methoxy]phenyl]propyl]morpholine
CID 170870395
4-[(3-bromophenyl)methyl]morpholine;hydrochloride
CID 17249740
4-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]butan-1-amine
CID 82558293
3-[2-(morpholin-4-ylmethyl)imidazol-1-yl]propan-1-ol
CID 91503690
4-[3-[2-[(1R)-1-phenylethyl]imidazol-1-yl]propyl]morpholine
CID 95200278
1-[(3-bromophenyl)methyl]-2-ethylimidazole
CID 55150590
4-[3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870384
2-[3-(3-bromophenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111807979

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[(3-bromophenyl)methyl]imidazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[2-[(3-bromophenyl)methyl]imidazol-1-yl]propyl]morpholine (CID 82561888) is 4-[3-[2-[(3-bromophenyl)methyl]imidazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[2-[(3-bromophenyl)methyl]imidazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[2-[(3-bromophenyl)methyl]imidazol-1-yl]propyl]morpholine is Brc1cccc(Cc2nccn2CCCN2CCOCC2)c1.
What is the InChIKey of 4-[3-[2-[(3-bromophenyl)methyl]imidazol-1-yl]propyl]morpholine?
The InChIKey is GXXIDHLVMXGCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O/c18-16-4-1-3-15(13-16)14-17-19-5-8-21(17)7-2-6-20-9-11-22-12-10-20/h1,3-5,8,13H,2,6-7,9-12,14H2.
What are the key properties of 4-[3-[2-[(3-bromophenyl)methyl]imidazol-1-yl]propyl]morpholine?
4-[3-[2-[(3-bromophenyl)methyl]imidazol-1-yl]propyl]morpholine has a molecular weight of 364.29 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[(3-bromophenyl)methyl]imidazol-1-yl]propyl]morpholine is sourced from PubChem (CID 82561888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).