1-[(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoyl]imidazolidin-2-one

C12H16BrN3O2S — CID 8971871

IUPAC1-[(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoyl]imidazolidin-2-one
SMILESC[C@H](C(=O)N1CCNC1=O)N(C)Cc1ccc(Br)s1
InChIInChI=1S/C12H16BrN3O2S/c1-8(11(17)16-6-5-14-12(16)18)15(2)7-9-3-4-10(13)19-9/h3-4,8H,5-7H2,1-2H3,(H,14,18)/t8-/m1/s1
InChIKeyKIEWKIQZOYPKMT-MRVPVSSYSA-N
MW346.25 g/mol
LogP1.88
Rot. Bonds4

About 1-[(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoyl]imidazolidin-2-one

1-[(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoyl]imidazolidin-2-one (PubChem CID 8971871) has the molecular formula C12H16BrN3O2S and a molecular weight of 346.25 g/mol. Its IUPAC name is 1-[(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoyl]imidazolidin-2-one
PubChem CID8971871
Molecular FormulaC12H16BrN3O2S
Molecular Weight346.25 g/mol
Exact Mass345.01
IUPAC Name1-[(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoyl]imidazolidin-2-one
SMILESC[C@H](C(=O)N1CCNC1=O)N(C)Cc1ccc(Br)s1
InChIInChI=1S/C12H16BrN3O2S/c1-8(11(17)16-6-5-14-12(16)18)15(2)7-9-3-4-10(13)19-9/h3-4,8H,5-7H2,1-2H3,(H,14,18)/t8-/m1/s1
InChIKeyKIEWKIQZOYPKMT-MRVPVSSYSA-N
XLogP1.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromothiophen-2-yl)methyl-methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 78793185
1-[(2R)-2-[(4-chlorophenyl)methyl-methylamino]propanoyl]imidazolidin-2-one
CID 8541173
2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoic acid
CID 62638904
1-[(2S)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoyl]imidazolidin-2-one
CID 8595959
4-[2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
CID 55412810
1-[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one
CID 8789162
2-[(5-bromothiophen-2-yl)methyl-methylamino]propan-1-ol
CID 115736745
1-[(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one
CID 8694902
1-[(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanoyl]imidazolidin-2-one
CID 8993801
1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one
CID 39748232
(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(4-chlorophenyl)propanamide
CID 9298947
2-[methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8642528

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoyl]imidazolidin-2-one (CID 8971871) is 1-[(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoyl]imidazolidin-2-one is C[C@H](C(=O)N1CCNC1=O)N(C)Cc1ccc(Br)s1.
What is the InChIKey of 1-[(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoyl]imidazolidin-2-one?
The InChIKey is KIEWKIQZOYPKMT-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16BrN3O2S/c1-8(11(17)16-6-5-14-12(16)18)15(2)7-9-3-4-10(13)19-9/h3-4,8H,5-7H2,1-2H3,(H,14,18)/t8-/m1/s1.
What are the key properties of 1-[(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoyl]imidazolidin-2-one?
1-[(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoyl]imidazolidin-2-one has a molecular weight of 346.25 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 8971871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).