1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one

C32H31Cl2F6N3O — CID 15391259

IUPAC1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one
SMILESCN1C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1(CCN1CCC(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C32H31Cl2F6N3O/c1-41-29(44)43(19-21-15-25(31(35,36)37)17-26(16-21)32(38,39)40)20-30(41,24-7-8-27(33)28(34)18-24)11-14-42-12-9-23(10-13-42)22-5-3-2-4-6-22/h2-8,15-18,23H,9-14,19-20H2,1H3
InChIKeyZKNSMWDBDZYJCA-UHFFFAOYSA-N
MW658.51 g/mol
LogP9.06
Rot. Bonds7

About 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one

1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one (PubChem CID 15391259) has the molecular formula C32H31Cl2F6N3O and a molecular weight of 658.51 g/mol. Its IUPAC name is 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one
PubChem CID15391259
Molecular FormulaC32H31Cl2F6N3O
Molecular Weight658.51 g/mol
Exact Mass657.17
IUPAC Name1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one
SMILESCN1C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1(CCN1CCC(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C32H31Cl2F6N3O/c1-41-29(44)43(19-21-15-25(31(35,36)37)17-26(16-21)32(38,39)40)20-30(41,24-7-8-27(33)28(34)18-24)11-14-42-12-9-23(10-13-42)22-5-3-2-4-6-22/h2-8,15-18,23H,9-14,19-20H2,1H3
InChIKeyZKNSMWDBDZYJCA-UHFFFAOYSA-N
XLogP9.06
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.51
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-(3-Chlorobenzyl)-piperidin-4-yl)-5,5-di-(4-fluorophenyl)-imidazolidin-2-one
CID 16125681
[(3S,4R)-3-(3,4-dichlorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]pyrrolidin-1-yl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 46208622
[(3S,4R)-3-(3,4-dichlorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]pyrrolidin-1-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 46207606
N-[1-[4-[acetyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide
CID 19592204
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(3,4-dichlorophenyl)-N-methylpiperazine-1-carboxamide
CID 9871115
1-[(3,5-Dichlorophenyl)methyl]-3-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one
CID 11517729
4-(3,4-Dichlorophenyl)-4-[2-[4-phenyl-1-azoniabicyclo[2.2.2]oct-1-yl]ethyl]-3-methyl-1-[3,5-bis(trifluoromethyl)benzyl]imidazolidin-2-one chloride
CID 19591399
1-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethyl]imidazolidin-2-one
CID 19591400
N-[1-[4-[benzyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide
CID 19592191
N-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide
CID 19592192
N-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl-formylamino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide
CID 19592200
N-[1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-phenylethyl)amino]-3-(3,4-dichlorophenyl)butyl]-4-phenylpiperidin-4-yl]acetamide
CID 19592201

Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one (CID 15391259) is 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one is CN1C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1(CCN1CCC(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one?
The InChIKey is ZKNSMWDBDZYJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31Cl2F6N3O/c1-41-29(44)43(19-21-15-25(31(35,36)37)17-26(16-21)32(38,39)40)20-30(41,24-7-8-27(33)28(34)18-24)11-14-42-12-9-23(10-13-42)22-5-3-2-4-6-22/h2-8,15-18,23H,9-14,19-20H2,1H3.
What are the key properties of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one?
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one has a molecular weight of 658.51 g/mol, XLogP of 9.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 15391259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).