2-[3-[(3-bromophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole

C16H15BrN2O — CID 82240383

IUPAC2-[3-[(3-bromophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
SMILESBrc1cccc(OCc2cccc(C3=NCCN3)c2)c1
InChIInChI=1S/C16H15BrN2O/c17-14-5-2-6-15(10-14)20-11-12-3-1-4-13(9-12)16-18-7-8-19-16/h1-6,9-10H,7-8,11H2,(H,18,19)
InChIKeyJPUWDLUMJNCFGR-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.38
Rot. Bonds4

About 2-[3-[(3-bromophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole

2-[3-[(3-bromophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 82240383) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-[3-[(3-bromophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[3-[(3-bromophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
PubChem CID82240383
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name2-[3-[(3-bromophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
SMILESBrc1cccc(OCc2cccc(C3=NCCN3)c2)c1
InChIInChI=1S/C16H15BrN2O/c17-14-5-2-6-15(10-14)20-11-12-3-1-4-13(9-12)16-18-7-8-19-16/h1-6,9-10H,7-8,11H2,(H,18,19)
InChIKeyJPUWDLUMJNCFGR-UHFFFAOYSA-N
XLogP3.38
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82249999
2-[4-[(4-bromophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82240381
3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine
CID 82245169
2-(3-methoxyphenyl)-4,5-dihydro-1H-imidazole
CID 3771231
2-[4-[(3-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82251895
1-bromo-3-[(3-ethylphenoxy)methyl]benzene
CID 60645294
2-[3-[(4-methylsulfonylphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252846
2-[4-[2-[[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethoxymethyl]phenyl]methoxy]ethoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
CID 162335122
5-[3-[(3-bromophenoxy)methyl]phenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326225
2-bromo-6-[(3-bromophenyl)methoxy]naphthalene
CID 7786828
1-bromo-3-[(4-fluorophenoxy)methyl]benzene
CID 60643983
2-[4-(3-bromophenoxy)-3-fluorophenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252902

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-bromophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[3-[(3-bromophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole (CID 82240383) is 2-[3-[(3-bromophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[3-[(3-bromophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[3-[(3-bromophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole is Brc1cccc(OCc2cccc(C3=NCCN3)c2)c1.
What is the InChIKey of 2-[3-[(3-bromophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is JPUWDLUMJNCFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c17-14-5-2-6-15(10-14)20-11-12-3-1-4-13(9-12)16-18-7-8-19-16/h1-6,9-10H,7-8,11H2,(H,18,19).
What are the key properties of 2-[3-[(3-bromophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole?
2-[3-[(3-bromophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 331.21 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-bromophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 82240383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).