1-[3-(4-bromophenyl)-3-phenoxypropyl]imidazole

C18H17BrN2O — CID 59331953

IUPAC1-[3-(4-bromophenyl)-3-phenoxypropyl]imidazole
SMILESBrc1ccc(C(CCn2ccnc2)Oc2ccccc2)cc1
InChIInChI=1S/C18H17BrN2O/c19-16-8-6-15(7-9-16)18(10-12-21-13-11-20-14-21)22-17-4-2-1-3-5-17/h1-9,11,13-14,18H,10,12H2
InChIKeyLCQXROFSCQEKMY-UHFFFAOYSA-N
MW357.25 g/mol
LogP4.86
Rot. Bonds6

About 1-[3-(4-bromophenyl)-3-phenoxypropyl]imidazole

1-[3-(4-bromophenyl)-3-phenoxypropyl]imidazole (PubChem CID 59331953) has the molecular formula C18H17BrN2O and a molecular weight of 357.25 g/mol. Its IUPAC name is 1-[3-(4-bromophenyl)-3-phenoxypropyl]imidazole.

Molecular Properties

Compound Name1-[3-(4-bromophenyl)-3-phenoxypropyl]imidazole
PubChem CID59331953
Molecular FormulaC18H17BrN2O
Molecular Weight357.25 g/mol
Exact Mass356.05
IUPAC Name1-[3-(4-bromophenyl)-3-phenoxypropyl]imidazole
SMILESBrc1ccc(C(CCn2ccnc2)Oc2ccccc2)cc1
InChIInChI=1S/C18H17BrN2O/c19-16-8-6-15(7-9-16)18(10-12-21-13-11-20-14-21)22-17-4-2-1-3-5-17/h1-9,11,13-14,18H,10,12H2
InChIKeyLCQXROFSCQEKMY-UHFFFAOYSA-N
XLogP4.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-tert-butylphenoxy)-3-(4-methylphenyl)propyl]imidazole
CID 24895544
1-[3-(2,4-dichlorophenoxy)-3-phenylpropyl]imidazole
CID 3012220
1-[6-(4-bromophenyl)hexyl]imidazole
CID 141475213
(3-imidazol-1-yl-1-phenylpropyl) 4-aminobenzoate
CID 56837881
1-[3-(4-tert-butylphenyl)-3-(3-phenylprop-2-enoxy)propyl]imidazole
CID 54189128
1-[3-(2,4-dichlorophenoxy)-3-(4-methylphenyl)propyl]imidazole
CID 3012224
1-(4-phenylsulfanylbutyl)imidazole
CID 58580494
1-(8-phenyloctyl)imidazole
CID 102394184
1-[2-(4-bromophenyl)decyl]imidazole
CID 3006849
(3-bromo-1-phenoxypropyl)benzene
CID 140974911
(2-imidazol-1-yl-1-phenylethyl) acetate
CID 3242727
1-imidazol-1-yl-5-phenylpentan-3-ol
CID 21415241

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromophenyl)-3-phenoxypropyl]imidazole?
The IUPAC name of 1-[3-(4-bromophenyl)-3-phenoxypropyl]imidazole (CID 59331953) is 1-[3-(4-bromophenyl)-3-phenoxypropyl]imidazole.
What is the SMILES notation for 1-[3-(4-bromophenyl)-3-phenoxypropyl]imidazole?
The canonical SMILES for 1-[3-(4-bromophenyl)-3-phenoxypropyl]imidazole is Brc1ccc(C(CCn2ccnc2)Oc2ccccc2)cc1.
What is the InChIKey of 1-[3-(4-bromophenyl)-3-phenoxypropyl]imidazole?
The InChIKey is LCQXROFSCQEKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O/c19-16-8-6-15(7-9-16)18(10-12-21-13-11-20-14-21)22-17-4-2-1-3-5-17/h1-9,11,13-14,18H,10,12H2.
What are the key properties of 1-[3-(4-bromophenyl)-3-phenoxypropyl]imidazole?
1-[3-(4-bromophenyl)-3-phenoxypropyl]imidazole has a molecular weight of 357.25 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromophenyl)-3-phenoxypropyl]imidazole is sourced from PubChem (CID 59331953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).