1-[(4-amino-2-bromophenyl)methyl]-3-methylimidazolidin-2-one

C11H14BrN3O — CID 62490636

IUPAC1-[(4-amino-2-bromophenyl)methyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(Cc2ccc(N)cc2Br)C1=O
InChIInChI=1S/C11H14BrN3O/c1-14-4-5-15(11(14)16)7-8-2-3-9(13)6-10(8)12/h2-3,6H,4-5,7,13H2,1H3
InChIKeyWGBGMYTVFSAYEM-UHFFFAOYSA-N
MW284.16 g/mol
LogP1.90
Rot. Bonds2

About 1-[(4-amino-2-bromophenyl)methyl]-3-methylimidazolidin-2-one

1-[(4-amino-2-bromophenyl)methyl]-3-methylimidazolidin-2-one (PubChem CID 62490636) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 1-[(4-amino-2-bromophenyl)methyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[(4-amino-2-bromophenyl)methyl]-3-methylimidazolidin-2-one
PubChem CID62490636
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name1-[(4-amino-2-bromophenyl)methyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(Cc2ccc(N)cc2Br)C1=O
InChIInChI=1S/C11H14BrN3O/c1-14-4-5-15(11(14)16)7-8-2-3-9(13)6-10(8)12/h2-3,6H,4-5,7,13H2,1H3
InChIKeyWGBGMYTVFSAYEM-UHFFFAOYSA-N
XLogP1.90
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-2-bromophenyl)methyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[(4-amino-2-bromophenyl)methyl]-3-methylimidazolidin-2-one (CID 62490636) is 1-[(4-amino-2-bromophenyl)methyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[(4-amino-2-bromophenyl)methyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[(4-amino-2-bromophenyl)methyl]-3-methylimidazolidin-2-one is CN1CCN(Cc2ccc(N)cc2Br)C1=O.
What is the InChIKey of 1-[(4-amino-2-bromophenyl)methyl]-3-methylimidazolidin-2-one?
The InChIKey is WGBGMYTVFSAYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-14-4-5-15(11(14)16)7-8-2-3-9(13)6-10(8)12/h2-3,6H,4-5,7,13H2,1H3.
What are the key properties of 1-[(4-amino-2-bromophenyl)methyl]-3-methylimidazolidin-2-one?
1-[(4-amino-2-bromophenyl)methyl]-3-methylimidazolidin-2-one has a molecular weight of 284.16 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-2-bromophenyl)methyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 62490636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).