1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one

C24H29ClFN3O — CID 23030116

IUPAC1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(Cc2ccccc2)CC1CN1CCC(Cc2cc(F)ccc2Cl)CC1
InChIInChI=1S/C24H29ClFN3O/c1-27-22(17-29(24(27)30)15-19-5-3-2-4-6-19)16-28-11-9-18(10-12-28)13-20-14-21(26)7-8-23(20)25/h2-8,14,18,22H,9-13,15-17H2,1H3
InChIKeyKPNMGJNEWNLMPB-UHFFFAOYSA-N
MW429.97 g/mol
LogP4.67
Rot. Bonds6

About 1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one

1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one (PubChem CID 23030116) has the molecular formula C24H29ClFN3O and a molecular weight of 429.97 g/mol. Its IUPAC name is 1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one
PubChem CID23030116
Molecular FormulaC24H29ClFN3O
Molecular Weight429.97 g/mol
Exact Mass429.20
IUPAC Name1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(Cc2ccccc2)CC1CN1CCC(Cc2cc(F)ccc2Cl)CC1
InChIInChI=1S/C24H29ClFN3O/c1-27-22(17-29(24(27)30)15-19-5-3-2-4-6-19)16-28-11-9-18(10-12-28)13-20-14-21(26)7-8-23(20)25/h2-8,14,18,22H,9-13,15-17H2,1H3
InChIKeyKPNMGJNEWNLMPB-UHFFFAOYSA-N
XLogP4.67
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.97
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-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

(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
1-[(2,4-Dichlorophenyl)(phenyl)methyl]-4-(piperidin-1-ylcarbonyl)piperazine
CID 44177146
N-Butyl-4-[(2,4-dichlorophenyl)(phenyl)methyl]piperazine-1-carboxamide
CID 44177148
4-[(2-chloro-4-fluorophenyl)(phenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide
CID 44177478
4-[(2-fluoro-4-chlorophenyl)(phenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide
CID 45277748
2-[3-(2-chloro-4-fluorobenzyl)-2-oxotetrahydropyrimidin-1(2H)-yl]-N-(4-methylcyclohexyl)acetamide
CID 3239880
1-[1-(2-Chloro-benzyl)-piperidin-4-yl]-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10571927
1-(1-Benzyl-piperidin-4-yl)-4-(2-chloro-phenyl)-5-methyl-1,3-dihydro-imidazol-2-one
CID 10809899

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one (CID 23030116) is 1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one is CN1C(=O)N(Cc2ccccc2)CC1CN1CCC(Cc2cc(F)ccc2Cl)CC1.
What is the InChIKey of 1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one?
The InChIKey is KPNMGJNEWNLMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClFN3O/c1-27-22(17-29(24(27)30)15-19-5-3-2-4-6-19)16-28-11-9-18(10-12-28)13-20-14-21(26)7-8-23(20)25/h2-8,14,18,22H,9-13,15-17H2,1H3.
What are the key properties of 1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one?
1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one has a molecular weight of 429.97 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 23030116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).