(4R)-3-(4-bromophenyl)-1-ethyl-4-methylimidazolidin-2-one

C12H15BrN2O — CID 178098970

IUPAC(4R)-3-(4-bromophenyl)-1-ethyl-4-methylimidazolidin-2-one
SMILESCCN1C[C@@H](C)N(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C12H15BrN2O/c1-3-14-8-9(2)15(12(14)16)11-6-4-10(13)5-7-11/h4-7,9H,3,8H2,1-2H3/t9-/m1/s1
InChIKeyLCJRTFFWIHAVKL-SECBINFHSA-N
MW283.17 g/mol
LogP3.10
Rot. Bonds2

About (4R)-3-(4-bromophenyl)-1-ethyl-4-methylimidazolidin-2-one

(4R)-3-(4-bromophenyl)-1-ethyl-4-methylimidazolidin-2-one (PubChem CID 178098970) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is (4R)-3-(4-bromophenyl)-1-ethyl-4-methylimidazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-(4-bromophenyl)-1-ethyl-4-methylimidazolidin-2-one
PubChem CID178098970
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name(4R)-3-(4-bromophenyl)-1-ethyl-4-methylimidazolidin-2-one
SMILESCCN1C[C@@H](C)N(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C12H15BrN2O/c1-3-14-8-9(2)15(12(14)16)11-6-4-10(13)5-7-11/h4-7,9H,3,8H2,1-2H3/t9-/m1/s1
InChIKeyLCJRTFFWIHAVKL-SECBINFHSA-N
XLogP3.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-(4-bromophenyl)-1-ethyl-4-methylimidazolidin-2-one?
The IUPAC name of (4R)-3-(4-bromophenyl)-1-ethyl-4-methylimidazolidin-2-one (CID 178098970) is (4R)-3-(4-bromophenyl)-1-ethyl-4-methylimidazolidin-2-one.
What is the SMILES notation for (4R)-3-(4-bromophenyl)-1-ethyl-4-methylimidazolidin-2-one?
The canonical SMILES for (4R)-3-(4-bromophenyl)-1-ethyl-4-methylimidazolidin-2-one is CCN1C[C@@H](C)N(c2ccc(Br)cc2)C1=O.
What is the InChIKey of (4R)-3-(4-bromophenyl)-1-ethyl-4-methylimidazolidin-2-one?
The InChIKey is LCJRTFFWIHAVKL-SECBINFHSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-3-14-8-9(2)15(12(14)16)11-6-4-10(13)5-7-11/h4-7,9H,3,8H2,1-2H3/t9-/m1/s1.
What are the key properties of (4R)-3-(4-bromophenyl)-1-ethyl-4-methylimidazolidin-2-one?
(4R)-3-(4-bromophenyl)-1-ethyl-4-methylimidazolidin-2-one has a molecular weight of 283.17 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(4-bromophenyl)-1-ethyl-4-methylimidazolidin-2-one is sourced from PubChem (CID 178098970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).