1-(3-aminopropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one

C13H18BrN3O — CID 116981441

IUPAC1-(3-aminopropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(CCCN)CC1c1ccc(Br)cc1
InChIInChI=1S/C13H18BrN3O/c1-16-12(10-3-5-11(14)6-4-10)9-17(13(16)18)8-2-7-15/h3-6,12H,2,7-9,15H2,1H3
InChIKeyRORNYGJYHCHBJS-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.21
Rot. Bonds4

About 1-(3-aminopropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one

1-(3-aminopropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one (PubChem CID 116981441) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 1-(3-aminopropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(3-aminopropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one
PubChem CID116981441
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name1-(3-aminopropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(CCCN)CC1c1ccc(Br)cc1
InChIInChI=1S/C13H18BrN3O/c1-16-12(10-3-5-11(14)6-4-10)9-17(13(16)18)8-2-7-15/h3-6,12H,2,7-9,15H2,1H3
InChIKeyRORNYGJYHCHBJS-UHFFFAOYSA-N
XLogP2.21
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminopropyl)-3-methyl-4-(4-methylphenyl)imidazolidin-2-one
CID 116981435
1-(3-aminopropyl)-3-methyl-4-phenylimidazolidin-2-one
CID 116981434
1-(2-amino-2-methylpropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one
CID 116981404
1-(3-aminopropyl)-4-(4-bromothiophen-2-yl)-3-methylimidazolidin-2-one
CID 116981451
1-(2-aminoethyl)-3-methyl-4-(4-methylsulfanylphenyl)imidazolidin-2-one
CID 116981203
1-(2-aminoethyl)-4-(5-bromo-2-fluorophenyl)-3-methylimidazolidin-2-one
CID 116981207
3-[3-methyl-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile
CID 116982515
1-(2-aminoethyl)-4-(5-bromothiophen-2-yl)-3-methylimidazolidin-2-one
CID 116981193
3-methyl-1-[2-(methylamino)ethyl]-4-(4-methylphenyl)imidazolidin-2-one
CID 116981228
4-(3-bromophenyl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one
CID 116982256
1-(3-aminopropyl)-3-methyl-4-propan-2-ylimidazolidin-2-one
CID 116981431
2-[3-methyl-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116982438

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(3-aminopropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one (CID 116981441) is 1-(3-aminopropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(3-aminopropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(3-aminopropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one is CN1C(=O)N(CCCN)CC1c1ccc(Br)cc1.
What is the InChIKey of 1-(3-aminopropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one?
The InChIKey is RORNYGJYHCHBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-16-12(10-3-5-11(14)6-4-10)9-17(13(16)18)8-2-7-15/h3-6,12H,2,7-9,15H2,1H3.
What are the key properties of 1-(3-aminopropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one?
1-(3-aminopropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one has a molecular weight of 312.21 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-4-(4-bromophenyl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 116981441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).