1-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)-3-methylimidazolidin-2-one

C15H23N3O — CID 116981277

IUPAC1-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)-3-methylimidazolidin-2-one
SMILESCc1ccc(C2CN(C(C)CN)C(=O)N2C)cc1C
InChIInChI=1S/C15H23N3O/c1-10-5-6-13(7-11(10)2)14-9-18(12(3)8-16)15(19)17(14)4/h5-7,12,14H,8-9,16H2,1-4H3
InChIKeyRJKOEEAQGBHNQC-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.06
Rot. Bonds3

About 1-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)-3-methylimidazolidin-2-one

1-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)-3-methylimidazolidin-2-one (PubChem CID 116981277) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)-3-methylimidazolidin-2-one
PubChem CID116981277
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)-3-methylimidazolidin-2-one
SMILESCc1ccc(C2CN(C(C)CN)C(=O)N2C)cc1C
InChIInChI=1S/C15H23N3O/c1-10-5-6-13(7-11(10)2)14-9-18(12(3)8-16)15(19)17(14)4/h5-7,12,14H,8-9,16H2,1-4H3
InChIKeyRJKOEEAQGBHNQC-UHFFFAOYSA-N
XLogP2.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)-3-methylimidazolidin-2-one (CID 116981277) is 1-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)-3-methylimidazolidin-2-one is Cc1ccc(C2CN(C(C)CN)C(=O)N2C)cc1C.
What is the InChIKey of 1-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)-3-methylimidazolidin-2-one?
The InChIKey is RJKOEEAQGBHNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-5-6-13(7-11(10)2)14-9-18(12(3)8-16)15(19)17(14)4/h5-7,12,14H,8-9,16H2,1-4H3.
What are the key properties of 1-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)-3-methylimidazolidin-2-one?
1-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)-3-methylimidazolidin-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 116981277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).