1-benzyl-3-(4-methoxyphenyl)-5-(2-oxocyclohexyl)-4-phenylimidazolidin-2-one

C29H30N2O3 — CID 4271929

IUPAC1-benzyl-3-(4-methoxyphenyl)-5-(2-oxocyclohexyl)-4-phenylimidazolidin-2-one
SMILESCOc1ccc(N2C(=O)N(Cc3ccccc3)C(C3CCCCC3=O)C2c2ccccc2)cc1
InChIInChI=1S/C29H30N2O3/c1-34-24-18-16-23(17-19-24)31-27(22-12-6-3-7-13-22)28(25-14-8-9-15-26(25)32)30(29(31)33)20-21-10-4-2-5-11-21/h2-7,10-13,16-19,25,27-28H,8-9,14-15,20H2,1H3
InChIKeyLOQBJHIFMXSIOK-UHFFFAOYSA-N
MW454.57 g/mol
LogP6.01
Rot. Bonds6

About 1-benzyl-3-(4-methoxyphenyl)-5-(2-oxocyclohexyl)-4-phenylimidazolidin-2-one

1-benzyl-3-(4-methoxyphenyl)-5-(2-oxocyclohexyl)-4-phenylimidazolidin-2-one (PubChem CID 4271929) has the molecular formula C29H30N2O3 and a molecular weight of 454.57 g/mol. Its IUPAC name is 1-benzyl-3-(4-methoxyphenyl)-5-(2-oxocyclohexyl)-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-(4-methoxyphenyl)-5-(2-oxocyclohexyl)-4-phenylimidazolidin-2-one
PubChem CID4271929
Molecular FormulaC29H30N2O3
Molecular Weight454.57 g/mol
Exact Mass454.23
IUPAC Name1-benzyl-3-(4-methoxyphenyl)-5-(2-oxocyclohexyl)-4-phenylimidazolidin-2-one
SMILESCOc1ccc(N2C(=O)N(Cc3ccccc3)C(C3CCCCC3=O)C2c2ccccc2)cc1
InChIInChI=1S/C29H30N2O3/c1-34-24-18-16-23(17-19-24)31-27(22-12-6-3-7-13-22)28(25-14-8-9-15-26(25)32)30(29(31)33)20-21-10-4-2-5-11-21/h2-7,10-13,16-19,25,27-28H,8-9,14-15,20H2,1H3
InChIKeyLOQBJHIFMXSIOK-UHFFFAOYSA-N
XLogP6.01
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-methoxyphenyl)-5-(2-oxocyclohexyl)-4-phenylimidazolidin-2-one?
The IUPAC name of 1-benzyl-3-(4-methoxyphenyl)-5-(2-oxocyclohexyl)-4-phenylimidazolidin-2-one (CID 4271929) is 1-benzyl-3-(4-methoxyphenyl)-5-(2-oxocyclohexyl)-4-phenylimidazolidin-2-one.
What is the SMILES notation for 1-benzyl-3-(4-methoxyphenyl)-5-(2-oxocyclohexyl)-4-phenylimidazolidin-2-one?
The canonical SMILES for 1-benzyl-3-(4-methoxyphenyl)-5-(2-oxocyclohexyl)-4-phenylimidazolidin-2-one is COc1ccc(N2C(=O)N(Cc3ccccc3)C(C3CCCCC3=O)C2c2ccccc2)cc1.
What is the InChIKey of 1-benzyl-3-(4-methoxyphenyl)-5-(2-oxocyclohexyl)-4-phenylimidazolidin-2-one?
The InChIKey is LOQBJHIFMXSIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O3/c1-34-24-18-16-23(17-19-24)31-27(22-12-6-3-7-13-22)28(25-14-8-9-15-26(25)32)30(29(31)33)20-21-10-4-2-5-11-21/h2-7,10-13,16-19,25,27-28H,8-9,14-15,20H2,1H3.
What are the key properties of 1-benzyl-3-(4-methoxyphenyl)-5-(2-oxocyclohexyl)-4-phenylimidazolidin-2-one?
1-benzyl-3-(4-methoxyphenyl)-5-(2-oxocyclohexyl)-4-phenylimidazolidin-2-one has a molecular weight of 454.57 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-methoxyphenyl)-5-(2-oxocyclohexyl)-4-phenylimidazolidin-2-one is sourced from PubChem (CID 4271929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).