1-(3-aminopropyl)-3-methyl-4-phenylimidazolidin-2-one

C13H19N3O — CID 116981434

IUPAC1-(3-aminopropyl)-3-methyl-4-phenylimidazolidin-2-one
SMILESCN1C(=O)N(CCCN)CC1c1ccccc1
InChIInChI=1S/C13H19N3O/c1-15-12(11-6-3-2-4-7-11)10-16(13(15)17)9-5-8-14/h2-4,6-7,12H,5,8-10,14H2,1H3
InChIKeyQRBBTAZTPZAOPJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.44
Rot. Bonds4

About 1-(3-aminopropyl)-3-methyl-4-phenylimidazolidin-2-one

1-(3-aminopropyl)-3-methyl-4-phenylimidazolidin-2-one (PubChem CID 116981434) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-methyl-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-methyl-4-phenylimidazolidin-2-one
PubChem CID116981434
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(3-aminopropyl)-3-methyl-4-phenylimidazolidin-2-one
SMILESCN1C(=O)N(CCCN)CC1c1ccccc1
InChIInChI=1S/C13H19N3O/c1-15-12(11-6-3-2-4-7-11)10-16(13(15)17)9-5-8-14/h2-4,6-7,12H,5,8-10,14H2,1H3
InChIKeyQRBBTAZTPZAOPJ-UHFFFAOYSA-N
XLogP1.44
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.44
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)-4-(4-bromophenyl)-3-methylimidazolidin-2-one
CID 116981441
2-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)acetonitrile
CID 116982437
1-(2-aminoethyl)-3-methyl-4-(4-methylsulfanylphenyl)imidazolidin-2-one
CID 116981203
3-(2-phenylaziridin-1-yl)propan-1-amine
CID 158362173
1-(3-aminopropyl)-3-methyl-4-propan-2-ylimidazolidin-2-one
CID 116981431
1-(3-aminopropyl)-5-phenylpyrazolidin-3-one
CID 105474530
1-(4-aminophenyl)-3-methyl-4-phenylimidazolidin-2-one
CID 116981888
3-[3-methyl-4-(3-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid
CID 116982044
1-(3-hydroxypropyl)-3-methyl-4-(1H-pyrrol-3-yl)imidazolidin-2-one
CID 116981988
4-(3-bromophenyl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one
CID 116982256
3-methyl-1-[2-(methylamino)ethyl]-4-(4-methylphenyl)imidazolidin-2-one
CID 116981228

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-methyl-4-phenylimidazolidin-2-one?
The IUPAC name of 1-(3-aminopropyl)-3-methyl-4-phenylimidazolidin-2-one (CID 116981434) is 1-(3-aminopropyl)-3-methyl-4-phenylimidazolidin-2-one.
What is the SMILES notation for 1-(3-aminopropyl)-3-methyl-4-phenylimidazolidin-2-one?
The canonical SMILES for 1-(3-aminopropyl)-3-methyl-4-phenylimidazolidin-2-one is CN1C(=O)N(CCCN)CC1c1ccccc1.
What is the InChIKey of 1-(3-aminopropyl)-3-methyl-4-phenylimidazolidin-2-one?
The InChIKey is QRBBTAZTPZAOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-15-12(11-6-3-2-4-7-11)10-16(13(15)17)9-5-8-14/h2-4,6-7,12H,5,8-10,14H2,1H3.
What are the key properties of 1-(3-aminopropyl)-3-methyl-4-phenylimidazolidin-2-one?
1-(3-aminopropyl)-3-methyl-4-phenylimidazolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-methyl-4-phenylimidazolidin-2-one is sourced from PubChem (CID 116981434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).