1-(1-amino-2-methylpropan-2-yl)-4-(2-bromophenyl)-3-methylimidazolidin-2-one

C14H20BrN3O — CID 116981388

IUPAC1-(1-amino-2-methylpropan-2-yl)-4-(2-bromophenyl)-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(C(C)(C)CN)CC1c1ccccc1Br
InChIInChI=1S/C14H20BrN3O/c1-14(2,9-16)18-8-12(17(3)13(18)19)10-6-4-5-7-11(10)15/h4-7,12H,8-9,16H2,1-3H3
InChIKeyGZIVMEDSCYMUIT-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.59
Rot. Bonds3

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

1-(1-amino-2-methylpropan-2-yl)-4-(2-bromophenyl)-3-methylimidazolidin-2-one (PubChem CID 116981388) 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-(2-bromophenyl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(1-amino-2-methylpropan-2-yl)-4-(2-bromophenyl)-3-methylimidazolidin-2-one
PubChem CID116981388
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name1-(1-amino-2-methylpropan-2-yl)-4-(2-bromophenyl)-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(C(C)(C)CN)CC1c1ccccc1Br
InChIInChI=1S/C14H20BrN3O/c1-14(2,9-16)18-8-12(17(3)13(18)19)10-6-4-5-7-11(10)15/h4-7,12H,8-9,16H2,1-3H3
InChIKeyGZIVMEDSCYMUIT-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-(1-amino-2-methylpropan-2-yl)-4-(2-bromophenyl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(1-amino-2-methylpropan-2-yl)-4-(2-bromophenyl)-3-methylimidazolidin-2-one (CID 116981388) is 1-(1-amino-2-methylpropan-2-yl)-4-(2-bromophenyl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(1-amino-2-methylpropan-2-yl)-4-(2-bromophenyl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(1-amino-2-methylpropan-2-yl)-4-(2-bromophenyl)-3-methylimidazolidin-2-one is CN1C(=O)N(C(C)(C)CN)CC1c1ccccc1Br.
What is the InChIKey of 1-(1-amino-2-methylpropan-2-yl)-4-(2-bromophenyl)-3-methylimidazolidin-2-one?
The InChIKey is GZIVMEDSCYMUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-14(2,9-16)18-8-12(17(3)13(18)19)10-6-4-5-7-11(10)15/h4-7,12H,8-9,16H2,1-3H3.
What are the key properties of 1-(1-amino-2-methylpropan-2-yl)-4-(2-bromophenyl)-3-methylimidazolidin-2-one?
1-(1-amino-2-methylpropan-2-yl)-4-(2-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-(1-amino-2-methylpropan-2-yl)-4-(2-bromophenyl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 116981388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).