5-[(4-bromophenyl)methyl]-2-tert-butyl-1,3-dimethylimidazolidin-4-one

C16H23BrN2O — CID 624645

IUPAC5-[(4-bromophenyl)methyl]-2-tert-butyl-1,3-dimethylimidazolidin-4-one
SMILESCN1C(=O)C(Cc2ccc(Br)cc2)N(C)C1C(C)(C)C
InChIInChI=1S/C16H23BrN2O/c1-16(2,3)15-18(4)13(14(20)19(15)5)10-11-6-8-12(17)9-7-11/h6-9,13,15H,10H2,1-5H3
InChIKeyYXRTYAVWLBLFLV-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.14
Rot. Bonds2

About 5-[(4-bromophenyl)methyl]-2-tert-butyl-1,3-dimethylimidazolidin-4-one

5-[(4-bromophenyl)methyl]-2-tert-butyl-1,3-dimethylimidazolidin-4-one (PubChem CID 624645) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl]-2-tert-butyl-1,3-dimethylimidazolidin-4-one.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl]-2-tert-butyl-1,3-dimethylimidazolidin-4-one
PubChem CID624645
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name5-[(4-bromophenyl)methyl]-2-tert-butyl-1,3-dimethylimidazolidin-4-one
SMILESCN1C(=O)C(Cc2ccc(Br)cc2)N(C)C1C(C)(C)C
InChIInChI=1S/C16H23BrN2O/c1-16(2,3)15-18(4)13(14(20)19(15)5)10-11-6-8-12(17)9-7-11/h6-9,13,15H,10H2,1-5H3
InChIKeyYXRTYAVWLBLFLV-UHFFFAOYSA-N
XLogP3.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methyl]-2-tert-butyl-1,3-dimethylimidazolidin-4-one?
The IUPAC name of 5-[(4-bromophenyl)methyl]-2-tert-butyl-1,3-dimethylimidazolidin-4-one (CID 624645) is 5-[(4-bromophenyl)methyl]-2-tert-butyl-1,3-dimethylimidazolidin-4-one.
What is the SMILES notation for 5-[(4-bromophenyl)methyl]-2-tert-butyl-1,3-dimethylimidazolidin-4-one?
The canonical SMILES for 5-[(4-bromophenyl)methyl]-2-tert-butyl-1,3-dimethylimidazolidin-4-one is CN1C(=O)C(Cc2ccc(Br)cc2)N(C)C1C(C)(C)C.
What is the InChIKey of 5-[(4-bromophenyl)methyl]-2-tert-butyl-1,3-dimethylimidazolidin-4-one?
The InChIKey is YXRTYAVWLBLFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-16(2,3)15-18(4)13(14(20)19(15)5)10-11-6-8-12(17)9-7-11/h6-9,13,15H,10H2,1-5H3.
What are the key properties of 5-[(4-bromophenyl)methyl]-2-tert-butyl-1,3-dimethylimidazolidin-4-one?
5-[(4-bromophenyl)methyl]-2-tert-butyl-1,3-dimethylimidazolidin-4-one has a molecular weight of 339.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methyl]-2-tert-butyl-1,3-dimethylimidazolidin-4-one is sourced from PubChem (CID 624645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).