3-benzyl-1-(2,5-dichlorophenyl)-4-propan-2-ylimidazolidin-2-one

C19H20Cl2N2O — CID 24968350

IUPAC3-benzyl-1-(2,5-dichlorophenyl)-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)C1CN(c2cc(Cl)ccc2Cl)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H20Cl2N2O/c1-13(2)18-12-23(17-10-15(20)8-9-16(17)21)19(24)22(18)11-14-6-4-3-5-7-14/h3-10,13,18H,11-12H2,1-2H3
InChIKeyPFPAVXKLHRSKFP-UHFFFAOYSA-N
MW363.29 g/mol
LogP5.46
Rot. Bonds4

About 3-benzyl-1-(2,5-dichlorophenyl)-4-propan-2-ylimidazolidin-2-one

3-benzyl-1-(2,5-dichlorophenyl)-4-propan-2-ylimidazolidin-2-one (PubChem CID 24968350) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is 3-benzyl-1-(2,5-dichlorophenyl)-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name3-benzyl-1-(2,5-dichlorophenyl)-4-propan-2-ylimidazolidin-2-one
PubChem CID24968350
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name3-benzyl-1-(2,5-dichlorophenyl)-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)C1CN(c2cc(Cl)ccc2Cl)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H20Cl2N2O/c1-13(2)18-12-23(17-10-15(20)8-9-16(17)21)19(24)22(18)11-14-6-4-3-5-7-14/h3-10,13,18H,11-12H2,1-2H3
InChIKeyPFPAVXKLHRSKFP-UHFFFAOYSA-N
XLogP5.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.29
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(2,5-dichlorophenyl)-4-propan-2-ylimidazolidin-2-one?
The IUPAC name of 3-benzyl-1-(2,5-dichlorophenyl)-4-propan-2-ylimidazolidin-2-one (CID 24968350) is 3-benzyl-1-(2,5-dichlorophenyl)-4-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 3-benzyl-1-(2,5-dichlorophenyl)-4-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 3-benzyl-1-(2,5-dichlorophenyl)-4-propan-2-ylimidazolidin-2-one is CC(C)C1CN(c2cc(Cl)ccc2Cl)C(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-1-(2,5-dichlorophenyl)-4-propan-2-ylimidazolidin-2-one?
The InChIKey is PFPAVXKLHRSKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c1-13(2)18-12-23(17-10-15(20)8-9-16(17)21)19(24)22(18)11-14-6-4-3-5-7-14/h3-10,13,18H,11-12H2,1-2H3.
What are the key properties of 3-benzyl-1-(2,5-dichlorophenyl)-4-propan-2-ylimidazolidin-2-one?
3-benzyl-1-(2,5-dichlorophenyl)-4-propan-2-ylimidazolidin-2-one has a molecular weight of 363.29 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(2,5-dichlorophenyl)-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 24968350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).