[2-[3-(4-bromophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone

C19H24BrN3O2 — CID 54070509

IUPAC[2-[3-(4-bromophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone
SMILESCC1(C)CN(C(=O)n2ccnc2)C(C)(CCCc2ccc(Br)cc2)O1
InChIInChI=1S/C19H24BrN3O2/c1-18(2)13-23(17(24)22-12-11-21-14-22)19(3,25-18)10-4-5-15-6-8-16(20)9-7-15/h6-9,11-12,14H,4-5,10,13H2,1-3H3
InChIKeyMGCDTHCDOYQVQK-UHFFFAOYSA-N
MW406.32 g/mol
LogP4.46
Rot. Bonds4

About [2-[3-(4-bromophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone

[2-[3-(4-bromophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone (PubChem CID 54070509) has the molecular formula C19H24BrN3O2 and a molecular weight of 406.32 g/mol. Its IUPAC name is [2-[3-(4-bromophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[2-[3-(4-bromophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone
PubChem CID54070509
Molecular FormulaC19H24BrN3O2
Molecular Weight406.32 g/mol
Exact Mass405.11
IUPAC Name[2-[3-(4-bromophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone
SMILESCC1(C)CN(C(=O)n2ccnc2)C(C)(CCCc2ccc(Br)cc2)O1
InChIInChI=1S/C19H24BrN3O2/c1-18(2)13-23(17(24)22-12-11-21-14-22)19(3,25-18)10-4-5-15-6-8-16(20)9-7-15/h6-9,11-12,14H,4-5,10,13H2,1-3H3
InChIKeyMGCDTHCDOYQVQK-UHFFFAOYSA-N
XLogP4.46
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[3-(4-bromophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone with MolForge

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Related Compounds

[2-[1-(4-chlorophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone
CID 19990543
1-[6-(4-bromophenyl)hexyl]imidazole
CID 141475213
1-[[5,5-dimethyl-2-(3-phenylpropyl)-1,3-dioxan-2-yl]methyl]imidazole
CID 20547857
imidazol-1-yl-[4-(4-octylphenyl)phenyl]methanone
CID 15951830
1-[[2-[3-(4-methoxyphenyl)propyl]-1,3-dithiolan-2-yl]methyl]imidazole
CID 20518795
1-[4-(3-imidazol-1-ylpropyl)phenyl]ethanone
CID 142964168
1,3-bis(4-bromophenyl)propan-2-one;1-bromo-4-[3-(4-bromophenyl)propyl]benzene
CID 157299042
1-[2-[2-[(4-bromophenyl)methyl]-5,5-diethyl-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547488
1-[[2-(3-phenylpropyl)-1,3-dithiolan-2-yl]methyl]imidazole
CID 20518699
imidazol-1-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone
CID 175064387
3-(4-bromophenyl)-1-imidazol-1-ylprop-2-en-1-one
CID 69157874
5-(4-bromophenyl)-3-(trifluoromethyl)-1,2,4-oxadiazole;di(imidazol-1-yl)methanone
CID 158105283

Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-bromophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone?
The IUPAC name of [2-[3-(4-bromophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone (CID 54070509) is [2-[3-(4-bromophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone.
What is the SMILES notation for [2-[3-(4-bromophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone?
The canonical SMILES for [2-[3-(4-bromophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone is CC1(C)CN(C(=O)n2ccnc2)C(C)(CCCc2ccc(Br)cc2)O1.
What is the InChIKey of [2-[3-(4-bromophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone?
The InChIKey is MGCDTHCDOYQVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O2/c1-18(2)13-23(17(24)22-12-11-21-14-22)19(3,25-18)10-4-5-15-6-8-16(20)9-7-15/h6-9,11-12,14H,4-5,10,13H2,1-3H3.
What are the key properties of [2-[3-(4-bromophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone?
[2-[3-(4-bromophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone has a molecular weight of 406.32 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-bromophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone is sourced from PubChem (CID 54070509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).