3-[3-[4-(4-cyclopropylphenyl)piperidin-1-yl]propyl]-2-(dimethylamino)-5,5-bis(4-fluorophenyl)imidazol-4-one

C34H38F2N4O — CID 142917255

IUPAC3-[3-[4-(4-cyclopropylphenyl)piperidin-1-yl]propyl]-2-(dimethylamino)-5,5-bis(4-fluorophenyl)imidazol-4-one
SMILESCN(C)C1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2ccc(C3CC3)cc2)CC1
InChIInChI=1S/C34H38F2N4O/c1-38(2)33-37-34(28-10-14-30(35)15-11-28,29-12-16-31(36)17-13-29)32(41)40(33)21-3-20-39-22-18-27(19-23-39)26-8-6-25(7-9-26)24-4-5-24/h6-17,24,27H,3-5,18-23H2,1-2H3
InChIKeyNWSGESGPSPTBBC-UHFFFAOYSA-N
MW556.70 g/mol
LogP6.12
Rot. Bonds8

About 3-[3-[4-(4-cyclopropylphenyl)piperidin-1-yl]propyl]-2-(dimethylamino)-5,5-bis(4-fluorophenyl)imidazol-4-one

3-[3-[4-(4-cyclopropylphenyl)piperidin-1-yl]propyl]-2-(dimethylamino)-5,5-bis(4-fluorophenyl)imidazol-4-one (PubChem CID 142917255) has the molecular formula C34H38F2N4O and a molecular weight of 556.70 g/mol. Its IUPAC name is 3-[3-[4-(4-cyclopropylphenyl)piperidin-1-yl]propyl]-2-(dimethylamino)-5,5-bis(4-fluorophenyl)imidazol-4-one.

Molecular Properties

Compound Name3-[3-[4-(4-cyclopropylphenyl)piperidin-1-yl]propyl]-2-(dimethylamino)-5,5-bis(4-fluorophenyl)imidazol-4-one
PubChem CID142917255
Molecular FormulaC34H38F2N4O
Molecular Weight556.70 g/mol
Exact Mass556.30
IUPAC Name3-[3-[4-(4-cyclopropylphenyl)piperidin-1-yl]propyl]-2-(dimethylamino)-5,5-bis(4-fluorophenyl)imidazol-4-one
SMILESCN(C)C1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2ccc(C3CC3)cc2)CC1
InChIInChI=1S/C34H38F2N4O/c1-38(2)33-37-34(28-10-14-30(35)15-11-28,29-12-16-31(36)17-13-29)32(41)40(33)21-3-20-39-22-18-27(19-23-39)26-8-6-25(7-9-26)24-4-5-24/h6-17,24,27H,3-5,18-23H2,1-2H3
InChIKeyNWSGESGPSPTBBC-UHFFFAOYSA-N
XLogP6.12
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.70
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[3-[4-(4-cyclopropylphenyl)piperidin-1-yl]propyl]-2-(dimethylamino)-5,5-bis(4-fluorophenyl)imidazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-cyclohexyl-1-(3,5-difluorobenzyl)-4-phenyl-1H-imidazol-5(4H)-one
CID 16050834
2-Amino-5,5-diphenyl-3-(2-phenylbutyl)imidazol-4-one
CID 44530662
2-Amino-3-cyclohexyl-5,5-bis(4-methylphenyl)imidazol-4-one
CID 76324856
2-Amino-5-[3-(2-fluoro-4-methylphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 155536581
3-[[3-(4-Acetylpiperazine-1-carbonyl)phenyl]methyl]-5,5-bis(4-fluorophenyl)-2-imino-imidazolidin-4-one
CID 135155585
4-[3-fluoro-5-[(2-imino-5-oxo-4,4-diphenyl-imidazolidin-1-yl)methyl]benzoyl]-N,N-dimethyl-piperazine-1-carboxamide
CID 135155699
5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-(2-phenylethyl)azetidin-3-yl]methyl]imidazol-4-one
CID 9985540
3-[[1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 10053788
5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]imidazol-4-one
CID 10054089
5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]imidazol-4-one
CID 10054334
5,5-Bis(4-fluorophenyl)-2-methyl-3-[[1-(3-phenylpropyl)piperidin-4-yl]methyl]imidazol-4-one
CID 10054547
1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 10077496

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4-cyclopropylphenyl)piperidin-1-yl]propyl]-2-(dimethylamino)-5,5-bis(4-fluorophenyl)imidazol-4-one?
The IUPAC name of 3-[3-[4-(4-cyclopropylphenyl)piperidin-1-yl]propyl]-2-(dimethylamino)-5,5-bis(4-fluorophenyl)imidazol-4-one (CID 142917255) is 3-[3-[4-(4-cyclopropylphenyl)piperidin-1-yl]propyl]-2-(dimethylamino)-5,5-bis(4-fluorophenyl)imidazol-4-one.
What is the SMILES notation for 3-[3-[4-(4-cyclopropylphenyl)piperidin-1-yl]propyl]-2-(dimethylamino)-5,5-bis(4-fluorophenyl)imidazol-4-one?
The canonical SMILES for 3-[3-[4-(4-cyclopropylphenyl)piperidin-1-yl]propyl]-2-(dimethylamino)-5,5-bis(4-fluorophenyl)imidazol-4-one is CN(C)C1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2ccc(C3CC3)cc2)CC1.
What is the InChIKey of 3-[3-[4-(4-cyclopropylphenyl)piperidin-1-yl]propyl]-2-(dimethylamino)-5,5-bis(4-fluorophenyl)imidazol-4-one?
The InChIKey is NWSGESGPSPTBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38F2N4O/c1-38(2)33-37-34(28-10-14-30(35)15-11-28,29-12-16-31(36)17-13-29)32(41)40(33)21-3-20-39-22-18-27(19-23-39)26-8-6-25(7-9-26)24-4-5-24/h6-17,24,27H,3-5,18-23H2,1-2H3.
What are the key properties of 3-[3-[4-(4-cyclopropylphenyl)piperidin-1-yl]propyl]-2-(dimethylamino)-5,5-bis(4-fluorophenyl)imidazol-4-one?
3-[3-[4-(4-cyclopropylphenyl)piperidin-1-yl]propyl]-2-(dimethylamino)-5,5-bis(4-fluorophenyl)imidazol-4-one has a molecular weight of 556.70 g/mol, XLogP of 6.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4-cyclopropylphenyl)piperidin-1-yl]propyl]-2-(dimethylamino)-5,5-bis(4-fluorophenyl)imidazol-4-one is sourced from PubChem (CID 142917255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).