3-[3-(dimethylamino)propyl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one

C15H22FN3O — CID 83250449

IUPAC3-[3-(dimethylamino)propyl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
SMILESCC1NC(c2cccc(F)c2)N(CCCN(C)C)C1=O
InChIInChI=1S/C15H22FN3O/c1-11-15(20)19(9-5-8-18(2)3)14(17-11)12-6-4-7-13(16)10-12/h4,6-7,10-11,14,17H,5,8-9H2,1-3H3
InChIKeyMRNHAWPEOJWRNG-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.60
Rot. Bonds5

About 3-[3-(dimethylamino)propyl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one

3-[3-(dimethylamino)propyl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one (PubChem CID 83250449) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
PubChem CID83250449
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name3-[3-(dimethylamino)propyl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
SMILESCC1NC(c2cccc(F)c2)N(CCCN(C)C)C1=O
InChIInChI=1S/C15H22FN3O/c1-11-15(20)19(9-5-8-18(2)3)14(17-11)12-6-4-7-13(16)10-12/h4,6-7,10-11,14,17H,5,8-9H2,1-3H3
InChIKeyMRNHAWPEOJWRNG-UHFFFAOYSA-N
XLogP1.60
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-5-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83267017
2-(3-fluorophenyl)-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83257620
3-[2-(dimethylamino)ethyl]-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83250661
3-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
CID 83250403
3-[4-(dimethylamino)butan-2-yl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83253328
2-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one
CID 83250579
3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83246415
3-(2-ethoxy-2-methylpropyl)-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 114944884
3-hexyl-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83262813
3-cyclopropyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83242288
3-[2-[ethyl(methyl)amino]ethyl]-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
CID 83255113
2-(3,4-difluorophenyl)-3-[2-[ethyl(methyl)amino]ethyl]-5-methylimidazolidin-4-one
CID 83253778

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one?
The IUPAC name of 3-[3-(dimethylamino)propyl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one (CID 83250449) is 3-[3-(dimethylamino)propyl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one is CC1NC(c2cccc(F)c2)N(CCCN(C)C)C1=O.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one?
The InChIKey is MRNHAWPEOJWRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-11-15(20)19(9-5-8-18(2)3)14(17-11)12-6-4-7-13(16)10-12/h4,6-7,10-11,14,17H,5,8-9H2,1-3H3.
What are the key properties of 3-[3-(dimethylamino)propyl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one?
3-[3-(dimethylamino)propyl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one has a molecular weight of 279.36 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83250449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).