2-(dimethylamino)-5,5-bis(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)imidazol-4-one

C25H30F2N4O — CID 142917413

IUPAC2-(dimethylamino)-5,5-bis(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)imidazol-4-one
SMILESCN(C)C1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCCCC1
InChIInChI=1S/C25H30F2N4O/c1-29(2)24-28-25(19-7-11-21(26)12-8-19,20-9-13-22(27)14-10-20)23(32)31(24)18-6-17-30-15-4-3-5-16-30/h7-14H,3-6,15-18H2,1-2H3
InChIKeyCVAAUYBBVKCSTA-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.84
Rot. Bonds6

About 2-(dimethylamino)-5,5-bis(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)imidazol-4-one

2-(dimethylamino)-5,5-bis(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)imidazol-4-one (PubChem CID 142917413) has the molecular formula C25H30F2N4O and a molecular weight of 440.54 g/mol. Its IUPAC name is 2-(dimethylamino)-5,5-bis(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)imidazol-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-5,5-bis(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)imidazol-4-one
PubChem CID142917413
Molecular FormulaC25H30F2N4O
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name2-(dimethylamino)-5,5-bis(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)imidazol-4-one
SMILESCN(C)C1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCCCC1
InChIInChI=1S/C25H30F2N4O/c1-29(2)24-28-25(19-7-11-21(26)12-8-19,20-9-13-22(27)14-10-20)23(32)31(24)18-6-17-30-15-4-3-5-16-30/h7-14H,3-6,15-18H2,1-2H3
InChIKeyCVAAUYBBVKCSTA-UHFFFAOYSA-N
XLogP3.84
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2e)-2-Imino-3-Methyl-5,5-Diphenylimidazolidin-4-One
CID 15054176
2-amino-4-cyclohexyl-1-(3,5-difluorobenzyl)-4-phenyl-1H-imidazol-5(4H)-one
CID 16050834
2-amino-4-cyclohexyl-1-methyl-4-phenyl-1H-imidazol-5(4H)-one
CID 16050931
2-amino-1-benzyl-4-cyclohexyl-4-phenyl-1H-imidazol-5(4H)-one
CID 16051038
2-amino-4-cyclohexyl-1-hexyl-4-phenyl-1H-imidazol-5(4H)-one
CID 16051040
2-Amino-3-cyclohexyl-5,5-diphenylimidazol-4-one
CID 44530523
2-Amino-3-pentyl-5,5-diphenylimidazol-4-one
CID 44530658
2-Amino-5,5-diphenyl-3-(2-phenylbutyl)imidazol-4-one
CID 44530662
2-Amino-5-(2-cyclohexylethyl)-3-methyl-5-phenylimidazol-4-one
CID 57843806
2-Amino-3-benzyl-5,5-diphenylimidazol-4-one
CID 59387062
2-Amino-3-cyclohexyl-5,5-bis(3-methylphenyl)imidazol-4-one
CID 76317509
2-Amino-3-cyclohexyl-5,5-bis(4-methylphenyl)imidazol-4-one
CID 76324856

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5,5-bis(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)imidazol-4-one?
The IUPAC name of 2-(dimethylamino)-5,5-bis(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)imidazol-4-one (CID 142917413) is 2-(dimethylamino)-5,5-bis(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)imidazol-4-one.
What is the SMILES notation for 2-(dimethylamino)-5,5-bis(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)imidazol-4-one?
The canonical SMILES for 2-(dimethylamino)-5,5-bis(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)imidazol-4-one is CN(C)C1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCCCC1.
What is the InChIKey of 2-(dimethylamino)-5,5-bis(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)imidazol-4-one?
The InChIKey is CVAAUYBBVKCSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N4O/c1-29(2)24-28-25(19-7-11-21(26)12-8-19,20-9-13-22(27)14-10-20)23(32)31(24)18-6-17-30-15-4-3-5-16-30/h7-14H,3-6,15-18H2,1-2H3.
What are the key properties of 2-(dimethylamino)-5,5-bis(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)imidazol-4-one?
2-(dimethylamino)-5,5-bis(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)imidazol-4-one has a molecular weight of 440.54 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5,5-bis(4-fluorophenyl)-3-(3-piperidin-1-ylpropyl)imidazol-4-one is sourced from PubChem (CID 142917413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).