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

C23H27ClFN3O — CID 23029541

IUPAC1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]imidazolidin-2-one
SMILESO=C1NC(CN2CCC(Cc3cc(F)ccc3Cl)CC2)CN1Cc1ccccc1
InChIInChI=1S/C23H27ClFN3O/c24-22-7-6-20(25)13-19(22)12-17-8-10-27(11-9-17)15-21-16-28(23(29)26-21)14-18-4-2-1-3-5-18/h1-7,13,17,21H,8-12,14-16H2,(H,26,29)
InChIKeyZKBQNXHUSMDMQH-UHFFFAOYSA-N
MW415.94 g/mol
LogP4.33
Rot. Bonds6

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

1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]imidazolidin-2-one (PubChem CID 23029541) has the molecular formula C23H27ClFN3O and a molecular weight of 415.94 g/mol. Its IUPAC name is 1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]imidazolidin-2-one
PubChem CID23029541
Molecular FormulaC23H27ClFN3O
Molecular Weight415.94 g/mol
Exact Mass415.18
IUPAC Name1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]imidazolidin-2-one
SMILESO=C1NC(CN2CCC(Cc3cc(F)ccc3Cl)CC2)CN1Cc1ccccc1
InChIInChI=1S/C23H27ClFN3O/c24-22-7-6-20(25)13-19(22)12-17-8-10-27(11-9-17)15-21-16-28(23(29)26-21)14-18-4-2-1-3-5-18/h1-7,13,17,21H,8-12,14-16H2,(H,26,29)
InChIKeyZKBQNXHUSMDMQH-UHFFFAOYSA-N
XLogP4.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.94
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]imidazolidin-2-one?
The IUPAC name of 1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]imidazolidin-2-one (CID 23029541) is 1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]imidazolidin-2-one is O=C1NC(CN2CCC(Cc3cc(F)ccc3Cl)CC2)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]imidazolidin-2-one?
The InChIKey is ZKBQNXHUSMDMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClFN3O/c24-22-7-6-20(25)13-19(22)12-17-8-10-27(11-9-17)15-21-16-28(23(29)26-21)14-18-4-2-1-3-5-18/h1-7,13,17,21H,8-12,14-16H2,(H,26,29).
What are the key properties of 1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]imidazolidin-2-one?
1-benzyl-4-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]imidazolidin-2-one has a molecular weight of 415.94 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 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]imidazolidin-2-one is sourced from PubChem (CID 23029541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).