1-(3-amino-2-methylpropyl)-4-(2,4-dimethylphenyl)imidazolidin-2-one

C15H23N3O — CID 116978705

IUPAC1-(3-amino-2-methylpropyl)-4-(2,4-dimethylphenyl)imidazolidin-2-one
SMILESCc1ccc(C2CN(CC(C)CN)C(=O)N2)c(C)c1
InChIInChI=1S/C15H23N3O/c1-10-4-5-13(12(3)6-10)14-9-18(15(19)17-14)8-11(2)7-16/h4-6,11,14H,7-9,16H2,1-3H3,(H,17,19)
InChIKeyMEDLMERPKXMKPJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.96
Rot. Bonds4

About 1-(3-amino-2-methylpropyl)-4-(2,4-dimethylphenyl)imidazolidin-2-one

1-(3-amino-2-methylpropyl)-4-(2,4-dimethylphenyl)imidazolidin-2-one (PubChem CID 116978705) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(3-amino-2-methylpropyl)-4-(2,4-dimethylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-amino-2-methylpropyl)-4-(2,4-dimethylphenyl)imidazolidin-2-one
PubChem CID116978705
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(3-amino-2-methylpropyl)-4-(2,4-dimethylphenyl)imidazolidin-2-one
SMILESCc1ccc(C2CN(CC(C)CN)C(=O)N2)c(C)c1
InChIInChI=1S/C15H23N3O/c1-10-4-5-13(12(3)6-10)14-9-18(15(19)17-14)8-11(2)7-16/h4-6,11,14H,7-9,16H2,1-3H3,(H,17,19)
InChIKeyMEDLMERPKXMKPJ-UHFFFAOYSA-N
XLogP1.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylpropyl)-4-(2,4-dimethylphenyl)imidazolidin-2-one?
The IUPAC name of 1-(3-amino-2-methylpropyl)-4-(2,4-dimethylphenyl)imidazolidin-2-one (CID 116978705) is 1-(3-amino-2-methylpropyl)-4-(2,4-dimethylphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(3-amino-2-methylpropyl)-4-(2,4-dimethylphenyl)imidazolidin-2-one?
The canonical SMILES for 1-(3-amino-2-methylpropyl)-4-(2,4-dimethylphenyl)imidazolidin-2-one is Cc1ccc(C2CN(CC(C)CN)C(=O)N2)c(C)c1.
What is the InChIKey of 1-(3-amino-2-methylpropyl)-4-(2,4-dimethylphenyl)imidazolidin-2-one?
The InChIKey is MEDLMERPKXMKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-4-5-13(12(3)6-10)14-9-18(15(19)17-14)8-11(2)7-16/h4-6,11,14H,7-9,16H2,1-3H3,(H,17,19).
What are the key properties of 1-(3-amino-2-methylpropyl)-4-(2,4-dimethylphenyl)imidazolidin-2-one?
1-(3-amino-2-methylpropyl)-4-(2,4-dimethylphenyl)imidazolidin-2-one has a molecular weight of 261.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylpropyl)-4-(2,4-dimethylphenyl)imidazolidin-2-one is sourced from PubChem (CID 116978705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).