4-(4-bromophenyl)-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one

C14H20BrN3O — CID 116979937

IUPAC4-(4-bromophenyl)-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one
SMILESCNC(C)(C)CN1CC(c2ccc(Br)cc2)NC1=O
InChIInChI=1S/C14H20BrN3O/c1-14(2,16-3)9-18-8-12(17-13(18)19)10-4-6-11(15)7-5-10/h4-7,12,16H,8-9H2,1-3H3,(H,17,19)
InChIKeyGZUPPULLNUNZCN-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.51
Rot. Bonds4

About 4-(4-bromophenyl)-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one

4-(4-bromophenyl)-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one (PubChem CID 116979937) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one
PubChem CID116979937
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name4-(4-bromophenyl)-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one
SMILESCNC(C)(C)CN1CC(c2ccc(Br)cc2)NC1=O
InChIInChI=1S/C14H20BrN3O/c1-14(2,16-3)9-18-8-12(17-13(18)19)10-4-6-11(15)7-5-10/h4-7,12,16H,8-9H2,1-3H3,(H,17,19)
InChIKeyGZUPPULLNUNZCN-UHFFFAOYSA-N
XLogP2.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(4-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid
CID 116979713
1-ethyl-4-(4-ethylphenyl)imidazolidin-2-one
CID 116980946
2-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116980124
1-ethyl-4-(4-methylsulfonylphenyl)imidazolidin-2-one
CID 116981024
4-(4-bromophenyl)-1-pyrrolidin-3-ylimidazolidin-2-one
CID 116978967
1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one
CID 116979206
3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid
CID 116979506
1-(2-amino-2-methylpropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one
CID 116981404
2-[4-(4-ethylsulfanylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116980185
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-ethylimidazolidin-2-one
CID 116980972
methyl 2-methyl-2-(2-oxo-4-phenylimidazolidin-1-yl)propanoate
CID 116980390
(2S)-2-(4-bromophenyl)azetidine
CID 91980119

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one?
The IUPAC name of 4-(4-bromophenyl)-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one (CID 116979937) is 4-(4-bromophenyl)-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one.
What is the SMILES notation for 4-(4-bromophenyl)-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one?
The canonical SMILES for 4-(4-bromophenyl)-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one is CNC(C)(C)CN1CC(c2ccc(Br)cc2)NC1=O.
What is the InChIKey of 4-(4-bromophenyl)-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one?
The InChIKey is GZUPPULLNUNZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-14(2,16-3)9-18-8-12(17-13(18)19)10-4-6-11(15)7-5-10/h4-7,12,16H,8-9H2,1-3H3,(H,17,19).
What are the key properties of 4-(4-bromophenyl)-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one?
4-(4-bromophenyl)-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one has a molecular weight of 326.24 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one is sourced from PubChem (CID 116979937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).