1-(2-amino-2-methylpropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one

C14H20BrN3O — CID 116981404

IUPAC1-(2-amino-2-methylpropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(CC(C)(C)N)CC1c1ccc(Br)cc1
InChIInChI=1S/C14H20BrN3O/c1-14(2,16)9-18-8-12(17(3)13(18)19)10-4-6-11(15)7-5-10/h4-7,12H,8-9,16H2,1-3H3
InChIKeyGZHZPRYSTVFROR-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.59
Rot. Bonds3

About 1-(2-amino-2-methylpropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one

1-(2-amino-2-methylpropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one (PubChem CID 116981404) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 1-(2-amino-2-methylpropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(2-amino-2-methylpropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one
PubChem CID116981404
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name1-(2-amino-2-methylpropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(CC(C)(C)N)CC1c1ccc(Br)cc1
InChIInChI=1S/C14H20BrN3O/c1-14(2,16)9-18-8-12(17(3)13(18)19)10-4-6-11(15)7-5-10/h4-7,12H,8-9,16H2,1-3H3
InChIKeyGZHZPRYSTVFROR-UHFFFAOYSA-N
XLogP2.59
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylpropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(2-amino-2-methylpropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one (CID 116981404) is 1-(2-amino-2-methylpropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(2-amino-2-methylpropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(2-amino-2-methylpropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one is CN1C(=O)N(CC(C)(C)N)CC1c1ccc(Br)cc1.
What is the InChIKey of 1-(2-amino-2-methylpropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one?
The InChIKey is GZHZPRYSTVFROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-14(2,16)9-18-8-12(17(3)13(18)19)10-4-6-11(15)7-5-10/h4-7,12H,8-9,16H2,1-3H3.
What are the key properties of 1-(2-amino-2-methylpropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one?
1-(2-amino-2-methylpropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one has a molecular weight of 326.24 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylpropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 116981404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).