1-(1-amino-2-methylpropan-2-yl)-4-(5-bromo-2-methylphenyl)imidazolidin-2-one

C14H20BrN3O — CID 116978465

IUPAC1-(1-amino-2-methylpropan-2-yl)-4-(5-bromo-2-methylphenyl)imidazolidin-2-one
SMILESCc1ccc(Br)cc1C1CN(C(C)(C)CN)C(=O)N1
InChIInChI=1S/C14H20BrN3O/c1-9-4-5-10(15)6-11(9)12-7-18(13(19)17-12)14(2,3)8-16/h4-6,12H,7-8,16H2,1-3H3,(H,17,19)
InChIKeyGAHDPLYTIZGHPJ-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.56
Rot. Bonds3

About 1-(1-amino-2-methylpropan-2-yl)-4-(5-bromo-2-methylphenyl)imidazolidin-2-one

1-(1-amino-2-methylpropan-2-yl)-4-(5-bromo-2-methylphenyl)imidazolidin-2-one (PubChem CID 116978465) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 1-(1-amino-2-methylpropan-2-yl)-4-(5-bromo-2-methylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(1-amino-2-methylpropan-2-yl)-4-(5-bromo-2-methylphenyl)imidazolidin-2-one
PubChem CID116978465
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name1-(1-amino-2-methylpropan-2-yl)-4-(5-bromo-2-methylphenyl)imidazolidin-2-one
SMILESCc1ccc(Br)cc1C1CN(C(C)(C)CN)C(=O)N1
InChIInChI=1S/C14H20BrN3O/c1-9-4-5-10(15)6-11(9)12-7-18(13(19)17-12)14(2,3)8-16/h4-6,12H,7-8,16H2,1-3H3,(H,17,19)
InChIKeyGAHDPLYTIZGHPJ-UHFFFAOYSA-N
XLogP2.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-methylpropan-2-yl)-4-(5-bromo-2-methylphenyl)imidazolidin-2-one?
The IUPAC name of 1-(1-amino-2-methylpropan-2-yl)-4-(5-bromo-2-methylphenyl)imidazolidin-2-one (CID 116978465) is 1-(1-amino-2-methylpropan-2-yl)-4-(5-bromo-2-methylphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(1-amino-2-methylpropan-2-yl)-4-(5-bromo-2-methylphenyl)imidazolidin-2-one?
The canonical SMILES for 1-(1-amino-2-methylpropan-2-yl)-4-(5-bromo-2-methylphenyl)imidazolidin-2-one is Cc1ccc(Br)cc1C1CN(C(C)(C)CN)C(=O)N1.
What is the InChIKey of 1-(1-amino-2-methylpropan-2-yl)-4-(5-bromo-2-methylphenyl)imidazolidin-2-one?
The InChIKey is GAHDPLYTIZGHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-9-4-5-10(15)6-11(9)12-7-18(13(19)17-12)14(2,3)8-16/h4-6,12H,7-8,16H2,1-3H3,(H,17,19).
What are the key properties of 1-(1-amino-2-methylpropan-2-yl)-4-(5-bromo-2-methylphenyl)imidazolidin-2-one?
1-(1-amino-2-methylpropan-2-yl)-4-(5-bromo-2-methylphenyl)imidazolidin-2-one has a molecular weight of 326.24 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-methylpropan-2-yl)-4-(5-bromo-2-methylphenyl)imidazolidin-2-one is sourced from PubChem (CID 116978465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).