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

C25H32BrN3O2 — CID 23029094

IUPAC1-benzyl-4-[[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one
SMILESCOc1ccc(Br)c(CC2CCN(CC3CN(Cc4ccccc4)C(=O)N3C)CC2)c1
InChIInChI=1S/C25H32BrN3O2/c1-27-22(18-29(25(27)30)16-20-6-4-3-5-7-20)17-28-12-10-19(11-13-28)14-21-15-23(31-2)8-9-24(21)26/h3-9,15,19,22H,10-14,16-18H2,1-2H3
InChIKeyDXHTXDZIVZIOMZ-UHFFFAOYSA-N
MW486.45 g/mol
LogP4.65
Rot. Bonds7

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

1-benzyl-4-[[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one (PubChem CID 23029094) has the molecular formula C25H32BrN3O2 and a molecular weight of 486.45 g/mol. Its IUPAC name is 1-benzyl-4-[[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-[[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one
PubChem CID23029094
Molecular FormulaC25H32BrN3O2
Molecular Weight486.45 g/mol
Exact Mass485.17
IUPAC Name1-benzyl-4-[[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one
SMILESCOc1ccc(Br)c(CC2CCN(CC3CN(Cc4ccccc4)C(=O)N3C)CC2)c1
InChIInChI=1S/C25H32BrN3O2/c1-27-22(18-29(25(27)30)16-20-6-4-3-5-7-20)17-28-12-10-19(11-13-28)14-21-15-23(31-2)8-9-24(21)26/h3-9,15,19,22H,10-14,16-18H2,1-2H3
InChIKeyDXHTXDZIVZIOMZ-UHFFFAOYSA-N
XLogP4.65
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.45
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-5-[[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazinan-2-one
CID 23029979
1-benzyl-4-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-methyl-1,3-diazinan-2-one
CID 23029089
1-benzyl-4-[[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-1,3-diazinan-2-one
CID 23029323
5-[[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]methyl]-3-propan-2-yl-1,3-thiazolidin-2-one
CID 23029410
3-benzyl-5-[2-[3-[[2-bromo-5-(1-methoxyethoxy)phenyl]methyl]pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 23029444
3-[2-[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]ethyl]benzamide
CID 10159820
2-[4-[2-[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]ethyl]piperidin-1-yl]ethanol
CID 23029899
4-[(2-bromo-5-methoxyphenyl)methyl]-1-[2-[1-(2-methoxyethyl)piperidin-4-yl]ethyl]piperidine
CID 23029159
2-[2-[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]ethyl]-2,3-dihydro-1H-indole
CID 23029450
N-[4-[2-[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]ethyl]cyclohexyl]pyrrolidine-1-sulfonamide
CID 23029105
(3S)-1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 115302526
5-[[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-thiazolidin-2-one
CID 23029222

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-benzyl-4-[[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one (CID 23029094) is 1-benzyl-4-[[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-benzyl-4-[[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-benzyl-4-[[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one is COc1ccc(Br)c(CC2CCN(CC3CN(Cc4ccccc4)C(=O)N3C)CC2)c1.
What is the InChIKey of 1-benzyl-4-[[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one?
The InChIKey is DXHTXDZIVZIOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32BrN3O2/c1-27-22(18-29(25(27)30)16-20-6-4-3-5-7-20)17-28-12-10-19(11-13-28)14-21-15-23(31-2)8-9-24(21)26/h3-9,15,19,22H,10-14,16-18H2,1-2H3.
What are the key properties of 1-benzyl-4-[[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one?
1-benzyl-4-[[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one has a molecular weight of 486.45 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]methyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 23029094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).