1-[(3,5-dichlorophenyl)methyl]-3-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one

C22H24Cl2FN3O — CID 11517729

IUPAC1-[(3,5-dichlorophenyl)methyl]-3-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one
SMILESCN1CCC(c2ccc(F)cc2)(N2CCN(Cc3cc(Cl)cc(Cl)c3)C2=O)CC1
InChIInChI=1S/C22H24Cl2FN3O/c1-26-8-6-22(7-9-26,17-2-4-20(25)5-3-17)28-11-10-27(21(28)29)15-16-12-18(23)14-19(24)13-16/h2-5,12-14H,6-11,15H2,1H3
InChIKeyRTXKXJFSIVJIAU-UHFFFAOYSA-N
MW436.36 g/mol
LogP4.99
Rot. Bonds4

About 1-[(3,5-dichlorophenyl)methyl]-3-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one

1-[(3,5-dichlorophenyl)methyl]-3-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one (PubChem CID 11517729) has the molecular formula C22H24Cl2FN3O and a molecular weight of 436.36 g/mol. Its IUPAC name is 1-[(3,5-dichlorophenyl)methyl]-3-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3,5-dichlorophenyl)methyl]-3-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one
PubChem CID11517729
Molecular FormulaC22H24Cl2FN3O
Molecular Weight436.36 g/mol
Exact Mass435.13
IUPAC Name1-[(3,5-dichlorophenyl)methyl]-3-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one
SMILESCN1CCC(c2ccc(F)cc2)(N2CCN(Cc3cc(Cl)cc(Cl)c3)C2=O)CC1
InChIInChI=1S/C22H24Cl2FN3O/c1-26-8-6-22(7-9-26,17-2-4-20(25)5-3-17)28-11-10-27(21(28)29)15-16-12-18(23)14-19(24)13-16/h2-5,12-14H,6-11,15H2,1H3
InChIKeyRTXKXJFSIVJIAU-UHFFFAOYSA-N
XLogP4.99
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.36
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 23647090
3-amino-4-(2,4-dichlorophenyl)-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 11999088
3-(1-(3-Chlorobenzyl)-piperidin-4-yl)-5-phenyl-5-cyclohexyl-imidazolidin-2-one
CID 16124705
3-(1-(4-Chlorobenzyl)-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125568
3-(1-(3-Chlorobenzyl)-piperidin-4-yl)-5,5-di-(4-fluorophenyl)-imidazolidin-2-one
CID 16125681
3-(1-(2-Chlorobenzyl)-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125566
3-(1-(3-Chlorobenzyl)-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125567
[(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
1-[1-[(3,5-Dichlorophenyl)methyl]piperidin-4-yl]-4,4-diphenylimidazolidin-2-one
CID 16125569
1-[1-[2-(3-Chlorophenyl)acetyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
CID 50789318
1-[1-[(4-Chlorophenyl)methyl]piperidin-4-yl]-3-methylimidazolidin-2-one
CID 72142254
(8aR)-7-[(3-chlorophenyl)methyl]-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368648

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichlorophenyl)methyl]-3-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[(3,5-dichlorophenyl)methyl]-3-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one (CID 11517729) is 1-[(3,5-dichlorophenyl)methyl]-3-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3,5-dichlorophenyl)methyl]-3-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[(3,5-dichlorophenyl)methyl]-3-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one is CN1CCC(c2ccc(F)cc2)(N2CCN(Cc3cc(Cl)cc(Cl)c3)C2=O)CC1.
What is the InChIKey of 1-[(3,5-dichlorophenyl)methyl]-3-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one?
The InChIKey is RTXKXJFSIVJIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2FN3O/c1-26-8-6-22(7-9-26,17-2-4-20(25)5-3-17)28-11-10-27(21(28)29)15-16-12-18(23)14-19(24)13-16/h2-5,12-14H,6-11,15H2,1H3.
What are the key properties of 1-[(3,5-dichlorophenyl)methyl]-3-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one?
1-[(3,5-dichlorophenyl)methyl]-3-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one has a molecular weight of 436.36 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichlorophenyl)methyl]-3-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 11517729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).