3-methyl-1-[3-(methylamino)phenyl]-4-propylimidazolidin-2-one

C14H21N3O — CID 116981876

IUPAC3-methyl-1-[3-(methylamino)phenyl]-4-propylimidazolidin-2-one
SMILESCCCC1CN(c2cccc(NC)c2)C(=O)N1C
InChIInChI=1S/C14H21N3O/c1-4-6-13-10-17(14(18)16(13)3)12-8-5-7-11(9-12)15-2/h5,7-9,13,15H,4,6,10H2,1-3H3
InChIKeyHRXMBFBHHOQQOT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.77
Rot. Bonds4

About 3-methyl-1-[3-(methylamino)phenyl]-4-propylimidazolidin-2-one

3-methyl-1-[3-(methylamino)phenyl]-4-propylimidazolidin-2-one (PubChem CID 116981876) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-methyl-1-[3-(methylamino)phenyl]-4-propylimidazolidin-2-one.

Molecular Properties

Compound Name3-methyl-1-[3-(methylamino)phenyl]-4-propylimidazolidin-2-one
PubChem CID116981876
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-methyl-1-[3-(methylamino)phenyl]-4-propylimidazolidin-2-one
SMILESCCCC1CN(c2cccc(NC)c2)C(=O)N1C
InChIInChI=1S/C14H21N3O/c1-4-6-13-10-17(14(18)16(13)3)12-8-5-7-11(9-12)15-2/h5,7-9,13,15H,4,6,10H2,1-3H3
InChIKeyHRXMBFBHHOQQOT-UHFFFAOYSA-N
XLogP2.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(methylamino)phenyl]-4-propylimidazolidin-2-one?
The IUPAC name of 3-methyl-1-[3-(methylamino)phenyl]-4-propylimidazolidin-2-one (CID 116981876) is 3-methyl-1-[3-(methylamino)phenyl]-4-propylimidazolidin-2-one.
What is the SMILES notation for 3-methyl-1-[3-(methylamino)phenyl]-4-propylimidazolidin-2-one?
The canonical SMILES for 3-methyl-1-[3-(methylamino)phenyl]-4-propylimidazolidin-2-one is CCCC1CN(c2cccc(NC)c2)C(=O)N1C.
What is the InChIKey of 3-methyl-1-[3-(methylamino)phenyl]-4-propylimidazolidin-2-one?
The InChIKey is HRXMBFBHHOQQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-6-13-10-17(14(18)16(13)3)12-8-5-7-11(9-12)15-2/h5,7-9,13,15H,4,6,10H2,1-3H3.
What are the key properties of 3-methyl-1-[3-(methylamino)phenyl]-4-propylimidazolidin-2-one?
3-methyl-1-[3-(methylamino)phenyl]-4-propylimidazolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(methylamino)phenyl]-4-propylimidazolidin-2-one is sourced from PubChem (CID 116981876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).